Coumarins and derivatives

Aromatic organic compounds that contain a benzene ring with two adjacent hydrogen atoms replaced by a lactone-like chain, forming a second six-membered heterocycle that shares two carbons with the benzene ring with the formula: C9H6O2.

1 – 15 of 309 results

4-(Bromomethyl)-7-methoxycoumarin, 97%, Thermo Scientific Chemicals

CAS: 35231-44-8 Molecular Formula: C11H9BrO3 Molecular Weight (g/mol): 269.09 MDL Number: MFCD00006869 InChI Key: CTENSLORRMFPDH-UHFFFAOYSA-N Synonym: 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin PubChem CID: 121894 IUPAC Name: 4-(bromomethyl)-7-methoxychromen-2-one SMILES: COC1=CC=C2C(CBr)=CC(=O)OC2=C1

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Specifications

PubChem CID	121894
CAS	35231-44-8
Molecular Weight (g/mol)	269.09
MDL Number	MFCD00006869
SMILES	COC1=CC=C2C(CBr)=CC(=O)OC2=C1
Synonym	4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin
IUPAC Name	4-(bromomethyl)-7-methoxychromen-2-one
InChI Key	CTENSLORRMFPDH-UHFFFAOYSA-N
Molecular Formula	C11H9BrO3

7-Diethylamino-4-methylcoumarin, 99%, Thermo Scientific Chemicals

CAS: 91-44-1 Molecular Formula: C14H17NO2 Molecular Weight (g/mol): 231.295 MDL Number: MFCD00006864 InChI Key: AFYCEAFSNDLKSX-UHFFFAOYSA-N Synonym: 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p PubChem CID: 7050 ChEBI: CHEBI:51938 IUPAC Name: 7-(diethylamino)-4-methylchromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C

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PubChem CID	7050
CAS	91-44-1
Molecular Weight (g/mol)	231.295
ChEBI	CHEBI:51938
MDL Number	MFCD00006864
SMILES	CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
Synonym	7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p
IUPAC Name	7-(diethylamino)-4-methylchromen-2-one
InChI Key	AFYCEAFSNDLKSX-UHFFFAOYSA-N
Molecular Formula	C14H17NO2

4-Chloro-3-nitrocoumarin, 98%, Thermo Scientific Chemicals

CAS: 38464-20-9 Molecular Formula: C9H4ClNO4 Molecular Weight (g/mol): 225.584 MDL Number: MFCD00051670 InChI Key: OFLRQEKOAGDHKT-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrocoumarin,4-chloro-3-nitro-2h-chromen-2-one,4-chloro-3-nitro-chromen-2-one,3-nitro-4-chlorocoumarin,pubchem8672,acmc-1ahgg,4-chloranyl-3-nitro-chromen-2-one,4-chloro-3-nitro-1-benzopyran-2-one,2h-1-benzopyran-2-one,4-chloro-3-nitro PubChem CID: 688979 IUPAC Name: 4-chloro-3-nitrochromen-2-one SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])Cl

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Specifications

PubChem CID	688979
CAS	38464-20-9
Molecular Weight (g/mol)	225.584
MDL Number	MFCD00051670
SMILES	C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])Cl
Synonym	4-chloro-3-nitrocoumarin,4-chloro-3-nitro-2h-chromen-2-one,4-chloro-3-nitro-chromen-2-one,3-nitro-4-chlorocoumarin,pubchem8672,acmc-1ahgg,4-chloranyl-3-nitro-chromen-2-one,4-chloro-3-nitro-1-benzopyran-2-one,2h-1-benzopyran-2-one,4-chloro-3-nitro
IUPAC Name	4-chloro-3-nitrochromen-2-one
InChI Key	OFLRQEKOAGDHKT-UHFFFAOYSA-N
Molecular Formula	C9H4ClNO4

Dicumarol, Thermo Scientific Chemicals

CAS: 66-76-2 Molecular Formula: C19H12O6 Molecular Weight (g/mol): 336.30 MDL Number: MFCD00006857 InChI Key: DOBMPNYZJYQDGZ-UHFFFAOYSA-N Synonym: dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl PubChem CID: 54676038 ChEBI: CHEBI:4513 IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one SMILES: OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12

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Specifications

PubChem CID	54676038
CAS	66-76-2
Molecular Weight (g/mol)	336.30
ChEBI	CHEBI:4513
MDL Number	MFCD00006857
SMILES	OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12
Synonym	dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl
IUPAC Name	4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
InChI Key	DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Molecular Formula	C19H12O6

3-Aminocoumarin, 97%, Thermo Scientific Chemicals

CAS: 1635-31-0 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00016965 InChI Key: QWZHDKGQKYEBKK-UHFFFAOYSA-N Synonym: 3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous PubChem CID: 74217 IUPAC Name: 3-aminochromen-2-one SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)N

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PubChem CID	74217
CAS	1635-31-0
Molecular Weight (g/mol)	161.16
MDL Number	MFCD00016965
SMILES	C1=CC=C2C(=C1)C=C(C(=O)O2)N
Synonym	3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous
IUPAC Name	3-aminochromen-2-one
InChI Key	QWZHDKGQKYEBKK-UHFFFAOYSA-N
Molecular Formula	C9H7NO2

7-Ethoxycoumarin, 99%, Thermo Scientific Chemicals

CAS: 31005-02-4 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00006877 InChI Key: LIFAQMGORKPVDH-UHFFFAOYSA-N Synonym: 7-ethoxycoumarin,7-ethoxy-2h-chromen-2-one,ethylumbelliferone,2h-1-benzopyran-2-one, 7-ethoxy,7-ethoxy-2h-1-benzopyran-2-one,7-ethoxycoumarine,pubchem8680,coumarin, 7-ethoxy,acmc-209hjx PubChem CID: 35703 ChEBI: CHEBI:28184 IUPAC Name: 7-ethoxychromen-2-one SMILES: CCOC1=CC2=C(C=C1)C=CC(=O)O2

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PubChem CID	35703
CAS	31005-02-4
Molecular Weight (g/mol)	190.198
ChEBI	CHEBI:28184
MDL Number	MFCD00006877
SMILES	CCOC1=CC2=C(C=C1)C=CC(=O)O2
Synonym	7-ethoxycoumarin,7-ethoxy-2h-chromen-2-one,ethylumbelliferone,2h-1-benzopyran-2-one, 7-ethoxy,7-ethoxy-2h-1-benzopyran-2-one,7-ethoxycoumarine,pubchem8680,coumarin, 7-ethoxy,acmc-209hjx
IUPAC Name	7-ethoxychromen-2-one
InChI Key	LIFAQMGORKPVDH-UHFFFAOYSA-N
Molecular Formula	C11H10O3

4-Methylumbelliferyl phosphate, 99%, Thermo Scientific Chemicals

CAS: 3368-04-5 MDL Number: MFCD00016969

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Specifications

CAS	3368-04-5
MDL Number	MFCD00016969

4-Methylumbelliferyl sulfate potassium salt, 98%, Thermo Scientific Chemicals

CAS: 15220-11-8 Molecular Formula: C10H7KO6S Molecular Weight (g/mol): 294.318 MDL Number: MFCD00016970 InChI Key: CSOCSPXOODWGLJ-UHFFFAOYSA-M Synonym: 4-methylumbelliferyl sulfate potassium salt,2h-1-benzopyran-2-one, 4-methyl-7-sulfooxy-, potassium salt,4-methylumbelliferyl sulfate, potassium salt,2h-1-benzopyran-2-one, 4-methyl-7-sulfooxy-, potassium salt 1:1,potassium 4-methyl-2-oxo-2h-chromen-7-yl sulfate,potassium 4-methyl-2-oxochromen-7-yl sulfate,c10h7o6s.k,potassium 4-methyl-2-oxo-2h-1-benzopyran-7-yl sulphate,potassium 4-methylumbelliferyl sulfate PubChem CID: 5044226 IUPAC Name: potassium;(4-methyl-2-oxochromen-7-yl) sulfate SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)[O-].[K+]

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Specifications

PubChem CID	5044226
CAS	15220-11-8
Molecular Weight (g/mol)	294.318
MDL Number	MFCD00016970
SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)[O-].[K+]
Synonym	4-methylumbelliferyl sulfate potassium salt,2h-1-benzopyran-2-one, 4-methyl-7-sulfooxy-, potassium salt,4-methylumbelliferyl sulfate, potassium salt,2h-1-benzopyran-2-one, 4-methyl-7-sulfooxy-, potassium salt 1:1,potassium 4-methyl-2-oxo-2h-chromen-7-yl sulfate,potassium 4-methyl-2-oxochromen-7-yl sulfate,c10h7o6s.k,potassium 4-methyl-2-oxo-2h-1-benzopyran-7-yl sulphate,potassium 4-methylumbelliferyl sulfate
IUPAC Name	potassium;(4-methyl-2-oxochromen-7-yl) sulfate
InChI Key	CSOCSPXOODWGLJ-UHFFFAOYSA-M
Molecular Formula	C10H7KO6S

Esculin hydrate, 97%, Thermo Scientific Chemicals

CAS: 531-75-9 Molecular Formula: C15H16O9 Molecular Weight (g/mol): 340.28 MDL Number: MFCD00149492 InChI Key: XHCADAYNFIFUHF-TYKRLAFXNA-N Synonym: esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside PubChem CID: 5281417 ChEBI: CHEBI:4853 IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one SMILES: OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O

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Specifications

PubChem CID	5281417
CAS	531-75-9
Molecular Weight (g/mol)	340.28
ChEBI	CHEBI:4853
MDL Number	MFCD00149492
SMILES	OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
Synonym	esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside
IUPAC Name	7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
InChI Key	XHCADAYNFIFUHF-TYKRLAFXNA-N
Molecular Formula	C15H16O9

4-Hydroxycoumarin, 98%, Thermo Scientific Chemicals

CAS: 1076-38-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006856 InChI Key: OWBBAPRUYLEWRR-UHFFFAOYSA-N Synonym: 4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd PubChem CID: 54682930 ChEBI: CHEBI:40070 SMILES: OC1=CC(=O)C2=CC=CC=C2O1

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PubChem CID	54682930
CAS	1076-38-6
Molecular Weight (g/mol)	162.14
ChEBI	CHEBI:40070
MDL Number	MFCD00006856
SMILES	OC1=CC(=O)C2=CC=CC=C2O1
Synonym	4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd
InChI Key	OWBBAPRUYLEWRR-UHFFFAOYSA-N
Molecular Formula	C9H6O3

7-Hydroxycoumarin, 99%, Thermo Scientific Chemicals

CAS: 93-35-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006878 InChI Key: ORHBXUUXSCNDEV-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon PubChem CID: 5281426 ChEBI: CHEBI:27510 SMILES: OC1=CC=C2C=CC(=O)OC2=C1

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Specifications

PubChem CID	5281426
CAS	93-35-6
Molecular Weight (g/mol)	162.14
ChEBI	CHEBI:27510
MDL Number	MFCD00006878
SMILES	OC1=CC=C2C=CC(=O)OC2=C1
Synonym	7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon
InChI Key	ORHBXUUXSCNDEV-UHFFFAOYSA-N
Molecular Formula	C9H6O3

7-Amino-4-methylcoumarin, 98%, Thermo Scientific Chemicals

CAS: 26093-31-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00006868 InChI Key: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC Name: 7-amino-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12

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PubChem CID	92249
CAS	26093-31-2
Molecular Weight (g/mol)	175.19
ChEBI	CHEBI:51771
MDL Number	MFCD00006868
SMILES	CC1=CC(=O)OC2=CC(N)=CC=C12
Synonym	7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x
IUPAC Name	7-amino-4-methylchromen-2-one
InChI Key	GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molecular Formula	C10H9NO2

7-Methoxycoumarin, 98+%, Thermo Scientific Chemicals

CAS: 531-59-9 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00006876 InChI Key: LIIALPBMIOVAHH-UHFFFAOYSA-N Synonym: 7-methoxycoumarin,herniarin,ayapanin,methylumbelliferone,7-methoxy-2h-chromen-2-one,herniarine,7-methoxy-2h-1-benzopyran-2-one,2h-1-benzopyran-2-one, 7-methoxy,coumarin, 7-methoxy,methoxycourmarin, 7 PubChem CID: 10748 ChEBI: CHEBI:5679 IUPAC Name: 7-methoxychromen-2-one SMILES: COC1=CC2=C(C=C1)C=CC(=O)O2

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PubChem CID	10748
CAS	531-59-9
Molecular Weight (g/mol)	176.171
ChEBI	CHEBI:5679
MDL Number	MFCD00006876
SMILES	COC1=CC2=C(C=C1)C=CC(=O)O2
Synonym	7-methoxycoumarin,herniarin,ayapanin,methylumbelliferone,7-methoxy-2h-chromen-2-one,herniarine,7-methoxy-2h-1-benzopyran-2-one,2h-1-benzopyran-2-one, 7-methoxy,coumarin, 7-methoxy,methoxycourmarin, 7
IUPAC Name	7-methoxychromen-2-one
InChI Key	LIIALPBMIOVAHH-UHFFFAOYSA-N
Molecular Formula	C10H8O3

4-Hydroxy-3-nitrocoumarin, 98%, Thermo Scientific Chemicals

CAS: 20261-31-8 Molecular Formula: C9H5NO5 Molecular Weight (g/mol): 207.141 MDL Number: MFCD00051671 InChI Key: NZQAQAUWFHMVEM-UHFFFAOYSA-N PubChem CID: 54682640 IUPAC Name: 4-hydroxy-3-nitrochromen-2-one SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])O

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Specifications

PubChem CID	54682640
CAS	20261-31-8
Molecular Weight (g/mol)	207.141
MDL Number	MFCD00051671
SMILES	C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])O
IUPAC Name	4-hydroxy-3-nitrochromen-2-one
InChI Key	NZQAQAUWFHMVEM-UHFFFAOYSA-N
Molecular Formula	C9H5NO5

3-Acetylcoumarin, 98+%, Thermo Scientific Chemicals

CAS: 3949-36-8 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.182 MDL Number: MFCD00006853 InChI Key: CSPIFKKOBWYOEX-UHFFFAOYSA-N Synonym: 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891 PubChem CID: 77553 IUPAC Name: 3-acetylchromen-2-one SMILES: CC(=O)C1=CC2=CC=CC=C2OC1=O

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Specifications

PubChem CID	77553
CAS	3949-36-8
Molecular Weight (g/mol)	188.182
MDL Number	MFCD00006853
SMILES	CC(=O)C1=CC2=CC=CC=C2OC1=O
Synonym	3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891
IUPAC Name	3-acetylchromen-2-one
InChI Key	CSPIFKKOBWYOEX-UHFFFAOYSA-N
Molecular Formula	C11H8O3

Coumarins and derivatives

Coumarins and derivatives

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