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.

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61 – 75 of 579 results

Scopoletin 98.0+%, TCI America™

CAS: 92-61-5 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006872 InChI Key: RODXRVNMMDRFIK-UHFFFAOYSA-N Synonym: scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin PubChem CID: 5280460 ChEBI: CHEBI:17488 IUPAC Name: 7-hydroxy-6-methoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O

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PubChem CID	5280460
CAS	92-61-5
Molecular Weight (g/mol)	192.17
ChEBI	CHEBI:17488
MDL Number	MFCD00006872
SMILES	COC1=C(C=C2C(=C1)C=CC(=O)O2)O
Synonym	scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin
IUPAC Name	7-hydroxy-6-methoxychromen-2-one
InChI Key	RODXRVNMMDRFIK-UHFFFAOYSA-N
Molecular Formula	C10H8O4

Ethyl 7-(Diethylamino)coumarin-3-carboxylate 98.0+%, TCI America™

CAS: 28705-46-6 Molecular Formula: C16H19NO4 Molecular Weight (g/mol): 289.331 MDL Number: MFCD00227484 InChI Key: MSOLGAJLRIINNF-UHFFFAOYSA-N Synonym: 7-(Diethylamino)coumarin-3-carboxylic Acid Ethyl Ester PubChem CID: 120014 IUPAC Name: ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC

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PubChem CID	120014
CAS	28705-46-6
Molecular Weight (g/mol)	289.331
MDL Number	MFCD00227484
SMILES	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC
Synonym	7-(Diethylamino)coumarin-3-carboxylic Acid Ethyl Ester
IUPAC Name	ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
InChI Key	MSOLGAJLRIINNF-UHFFFAOYSA-N
Molecular Formula	C16H19NO4

2-Oxo-2H-chromen-7-yl Trifluoromethanesulfonate 98.0+%, TCI America™

CAS: 108530-10-5 Molecular Formula: C10H5F3O5S Molecular Weight (g/mol): 294.2 MDL Number: MFCD18382236 InChI Key: RHZZAJVDTLUWRD-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid 2-Oxo-2H-chromen-7-yl Ester, 7-Coumaryl Trifluoromethanesulfonate, 7-Coumaryl Triflate PubChem CID: 13704479 IUPAC Name: (2-oxochromen-7-yl) trifluoromethanesulfonate SMILES: C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)C(F)(F)F

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PubChem CID	13704479
CAS	108530-10-5
Molecular Weight (g/mol)	294.2
MDL Number	MFCD18382236
SMILES	C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)C(F)(F)F
Synonym	Trifluoromethanesulfonic Acid 2-Oxo-2H-chromen-7-yl Ester, 7-Coumaryl Trifluoromethanesulfonate, 7-Coumaryl Triflate
IUPAC Name	(2-oxochromen-7-yl) trifluoromethanesulfonate
InChI Key	RHZZAJVDTLUWRD-UHFFFAOYSA-N
Molecular Formula	C10H5F3O5S

7-(Diethylamino)coumarin-3-carbonitrile 98.0+%, TCI America™

CAS: 51473-74-6 Molecular Formula: C14H14N2O2 Molecular Weight (g/mol): 242.278 MDL Number: MFCD00068688 InChI Key: LOUYEVRVQGFIFB-UHFFFAOYSA-N Synonym: 3-Cyano-7-(diethylamino)coumarin PubChem CID: 688937 IUPAC Name: 7-(diethylamino)-2-oxochromene-3-carbonitrile SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N

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PubChem CID	688937
CAS	51473-74-6
Molecular Weight (g/mol)	242.278
MDL Number	MFCD00068688
SMILES	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N
Synonym	3-Cyano-7-(diethylamino)coumarin
IUPAC Name	7-(diethylamino)-2-oxochromene-3-carbonitrile
InChI Key	LOUYEVRVQGFIFB-UHFFFAOYSA-N
Molecular Formula	C14H14N2O2

Esculetin 98.0+%, TCI America™

CAS: 305-01-1 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 MDL Number: MFCD00006874 InChI Key: ILEDWLMCKZNDJK-UHFFFAOYSA-N Synonym: esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon PubChem CID: 5281416 ChEBI: CHEBI:490095 IUPAC Name: 6,7-dihydroxychromen-2-one SMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)O

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PubChem CID	5281416
CAS	305-01-1
Molecular Weight (g/mol)	178.143
ChEBI	CHEBI:490095
MDL Number	MFCD00006874
SMILES	C1=CC(=O)OC2=CC(=C(C=C21)O)O
Synonym	esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon
IUPAC Name	6,7-dihydroxychromen-2-one
InChI Key	ILEDWLMCKZNDJK-UHFFFAOYSA-N
Molecular Formula	C9H6O4

5,7-Dihydroxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 2107-76-8 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00016966 InChI Key: QNVWGEJMXOQQPM-UHFFFAOYSA-N Synonym: 5,7-dihydroxy-4-methylcoumarin,5,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methyllimetol,4-methyl-5,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one,coumarin, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-chromen-2-one,chembl12252,unii-vp62d4346m PubChem CID: 5354284 IUPAC Name: 5,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=CC(=C12)O)O

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PubChem CID	5354284
CAS	2107-76-8
Molecular Weight (g/mol)	192.17
MDL Number	MFCD00016966
SMILES	CC1=CC(=O)OC2=CC(=CC(=C12)O)O
Synonym	5,7-dihydroxy-4-methylcoumarin,5,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methyllimetol,4-methyl-5,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one,coumarin, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-chromen-2-one,chembl12252,unii-vp62d4346m
IUPAC Name	5,7-dihydroxy-4-methylchromen-2-one
InChI Key	QNVWGEJMXOQQPM-UHFFFAOYSA-N
Molecular Formula	C10H8O4

7-(Diethylamino)-3-(2-thienyl)coumarin 98.0+%, TCI America™

CAS: 117850-52-9 Molecular Formula: C17H17NO2S Molecular Weight (g/mol): 299.39 MDL Number: MFCD29089355 InChI Key: ALJRTBKJTPXLCD-UHFFFAOYSA-N PubChem CID: 57494118 IUPAC Name: 7-(diethylamino)-3-(thiophen-2-yl)-2H-chromen-2-one SMILES: CCN(CC)C1=CC=C2C=C(C3=CC=CS3)C(=O)OC2=C1

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PubChem CID	57494118
CAS	117850-52-9
Molecular Weight (g/mol)	299.39
MDL Number	MFCD29089355
SMILES	CCN(CC)C1=CC=C2C=C(C3=CC=CS3)C(=O)OC2=C1
IUPAC Name	7-(diethylamino)-3-(thiophen-2-yl)-2H-chromen-2-one
InChI Key	ALJRTBKJTPXLCD-UHFFFAOYSA-N
Molecular Formula	C17H17NO2S

4-Chloro-3-nitrocoumarin 96.0+%, TCI America™

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

Coumarin 153 98.0+%, TCI America™

CAS: 53518-18-6 Molecular Formula: C16H14F3NO2 Molecular Weight (g/mol): 309.288 MDL Number: MFCD00041843 InChI Key: VSSSHNJONFTXHS-UHFFFAOYSA-N Synonym: coumarin 153,pilot 495,c 6f,coumarin 540a,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-trifluoromethyl,2,3,6,7-tetrahydro-9-trifluoromethyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-trifluoromethyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,8-trifluoromethyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one PubChem CID: 72652 ChEBI: CHEBI:51773 SMILES: C1CC2=C3C(=C4C(=C2)C(=CC(=O)O4)C(F)(F)F)CCCN3C1

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PubChem CID	72652
CAS	53518-18-6
Molecular Weight (g/mol)	309.288
ChEBI	CHEBI:51773
MDL Number	MFCD00041843
SMILES	C1CC2=C3C(=C4C(=C2)C(=CC(=O)O4)C(F)(F)F)CCCN3C1
Synonym	coumarin 153,pilot 495,c 6f,coumarin 540a,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-trifluoromethyl,2,3,6,7-tetrahydro-9-trifluoromethyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-trifluoromethyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,8-trifluoromethyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one
InChI Key	VSSSHNJONFTXHS-UHFFFAOYSA-N
Molecular Formula	C16H14F3NO2

6-Chloro-4-hydroxycoumarin 97.0+%, TCI America™

CAS: 19484-57-2 Molecular Formula: C9H5ClO3 Molecular Weight (g/mol): 196.59 MDL Number: MFCD00239399 InChI Key: UJHIADILZZWIED-UHFFFAOYSA-N Synonym: 6-chloro-4-hydroxycoumarin,6-chloro-4-hydroxy-2h-chromen-2-one,4-hydroxy-6-chlorocoumarin,6-chloro-4-hydroxy-2h-1-benzopyran-2-one,2h-1-benzopyran-2-one,6-chloro-4-hydroxy,6-chloro-2-hydroxychromen-4-one,6-chloro-2-hydroxy-4h-chromen-4-one,pubchem24343,acmc-1bsui,6-chlor-4-oxy-cumarin PubChem CID: 54686348 IUPAC Name: 6-chloro-2-hydroxy-4H-chromen-4-one SMILES: OC1=CC(=O)C2=CC(Cl)=CC=C2O1

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PubChem CID	54686348
CAS	19484-57-2
Molecular Weight (g/mol)	196.59
MDL Number	MFCD00239399
SMILES	OC1=CC(=O)C2=CC(Cl)=CC=C2O1
Synonym	6-chloro-4-hydroxycoumarin,6-chloro-4-hydroxy-2h-chromen-2-one,4-hydroxy-6-chlorocoumarin,6-chloro-4-hydroxy-2h-1-benzopyran-2-one,2h-1-benzopyran-2-one,6-chloro-4-hydroxy,6-chloro-2-hydroxychromen-4-one,6-chloro-2-hydroxy-4h-chromen-4-one,pubchem24343,acmc-1bsui,6-chlor-4-oxy-cumarin
IUPAC Name	6-chloro-2-hydroxy-4H-chromen-4-one
InChI Key	UJHIADILZZWIED-UHFFFAOYSA-N
Molecular Formula	C9H5ClO3

Coumarin 545 97.0+%, TCI America™

CAS: 85642-11-1 Molecular Formula: C22H18N2O2S Molecular Weight (g/mol): 374.458 InChI Key: WYZWJLZUSHFFOR-UHFFFAOYSA-N Synonym: 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 5237252 SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1

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Specifications

PubChem CID	5237252
CAS	85642-11-1
Molecular Weight (g/mol)	374.458
SMILES	C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1
Synonym	10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
InChI Key	WYZWJLZUSHFFOR-UHFFFAOYSA-N
Molecular Formula	C22H18N2O2S

3,3'-Carbonylbis(7-diethylaminocoumarin) 98.0+%, TCI America™

CAS: 63226-13-1 Molecular Formula: C27H28N2O5 Molecular Weight (g/mol): 460.53 MDL Number: MFCD00050047 InChI Key: SANIRTQDABNCHF-UHFFFAOYSA-N Synonym: 3,3'-carbonylbis 7-diethylaminocoumarin,3,3'-carbonylbis 7-diethylamino-2h-chromen-2-one,2h-1-benzopyran-2-one, 3,3'-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxochromene-3-carbonyl chromen-2-one,7-diethylamino-3-7-diethylamino-2-oxochromen-3-yl carbonyl chromen-2-one,3,3'-carbonyl-bis-7-diethylaminocoumarin,2h-1-benzopyran-2-one, 3,3-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxo-2h-chromen-3-yl carbonyl-2h-ch romen-2-one PubChem CID: 113160 IUPAC Name: 7-(diethylamino)-3-[7-(diethylamino)-2-oxochromene-3-carbonyl]chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC4=C(C=C(C=C4)N(CC)CC)OC3=O

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Specifications

PubChem CID	113160
CAS	63226-13-1
Molecular Weight (g/mol)	460.53
MDL Number	MFCD00050047
SMILES	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC4=C(C=C(C=C4)N(CC)CC)OC3=O
Synonym	3,3'-carbonylbis 7-diethylaminocoumarin,3,3'-carbonylbis 7-diethylamino-2h-chromen-2-one,2h-1-benzopyran-2-one, 3,3'-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxochromene-3-carbonyl chromen-2-one,7-diethylamino-3-7-diethylamino-2-oxochromen-3-yl carbonyl chromen-2-one,3,3'-carbonyl-bis-7-diethylaminocoumarin,2h-1-benzopyran-2-one, 3,3-carbonylbis 7-diethylamino,7-diethylamino-3-7-diethylamino-2-oxo-2h-chromen-3-yl carbonyl-2h-ch romen-2-one
IUPAC Name	7-(diethylamino)-3-[7-(diethylamino)-2-oxochromene-3-carbonyl]chromen-2-one
InChI Key	SANIRTQDABNCHF-UHFFFAOYSA-N
Molecular Formula	C27H28N2O5

Coumarin-3-carbonitrile 98.0+%, TCI America™

CAS: 15119-34-3 Molecular Formula: C10H5NO2 Molecular Weight (g/mol): 171.16 MDL Number: MFCD00115699 InChI Key: QKJALQPLNMEDAV-UHFFFAOYSA-N Synonym: 3-cyanocoumarin,2-oxo-2h-chromene-3-carbonitrile,coumarin-3-carbonitrile,2h-1-benzopyran-3-carbonitrile, 2-oxo,2-oxo-2h-1-benzopyran-3-carbonitrile,coumarin, 3-cyano-7ci,8ci,3-cyano-coumarin,pubchem8675,acmc-1cfdq PubChem CID: 203763 IUPAC Name: 2-oxo-2H-chromene-3-carbonitrile SMILES: O=C1OC2=CC=CC=C2C=C1C#N

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PubChem CID	203763
CAS	15119-34-3
Molecular Weight (g/mol)	171.16
MDL Number	MFCD00115699
SMILES	O=C1OC2=CC=CC=C2C=C1C#N
Synonym	3-cyanocoumarin,2-oxo-2h-chromene-3-carbonitrile,coumarin-3-carbonitrile,2h-1-benzopyran-3-carbonitrile, 2-oxo,2-oxo-2h-1-benzopyran-3-carbonitrile,coumarin, 3-cyano-7ci,8ci,3-cyano-coumarin,pubchem8675,acmc-1cfdq
IUPAC Name	2-oxo-2H-chromene-3-carbonitrile
InChI Key	QKJALQPLNMEDAV-UHFFFAOYSA-N
Molecular Formula	C10H5NO2

3-Cyanoumbelliferone 98.0+%, TCI America™

CAS: 19088-73-4 Molecular Formula: C10H5NO3 Molecular Weight (g/mol): 187.15 MDL Number: MFCD00037480 InChI Key: IJQYTHQDUDCJEQ-UHFFFAOYSA-N Synonym: 3-Cyano-7-hydroxycoumarin PubChem CID: 5393173 IUPAC Name: 7-hydroxy-2-oxo-2H-chromene-3-carbonitrile SMILES: OC1=CC=C2C=C(C#N)C(=O)OC2=C1

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Specifications

PubChem CID	5393173
CAS	19088-73-4
Molecular Weight (g/mol)	187.15
MDL Number	MFCD00037480
SMILES	OC1=CC=C2C=C(C#N)C(=O)OC2=C1
Synonym	3-Cyano-7-hydroxycoumarin
IUPAC Name	7-hydroxy-2-oxo-2H-chromene-3-carbonitrile
InChI Key	IJQYTHQDUDCJEQ-UHFFFAOYSA-N
Molecular Formula	C10H5NO3

6,7-Dimethoxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 4281-40-7 Molecular Formula: C12H12O4 Molecular Weight (g/mol): 220.224 MDL Number: MFCD00012338 InChI Key: GBYDSYPGGDKWGZ-UHFFFAOYSA-N PubChem CID: 77966 IUPAC Name: 6,7-dimethoxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)OC)OC

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Specifications

PubChem CID	77966
CAS	4281-40-7
Molecular Weight (g/mol)	220.224
MDL Number	MFCD00012338
SMILES	CC1=CC(=O)OC2=CC(=C(C=C12)OC)OC
IUPAC Name	6,7-dimethoxy-4-methylchromen-2-one
InChI Key	GBYDSYPGGDKWGZ-UHFFFAOYSA-N
Molecular Formula	C12H12O4

Coumarins and derivatives

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