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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136 – 150 of 542 results

136

7-Hydroxy-4-(trifluoromethyl)coumarin 98.0+%, TCI America™

CAS: 575-03-1 Molecular Formula: C10H5F3O3 Molecular Weight (g/mol): 230.142 MDL Number: MFCD00037578 InChI Key: CCKWMCUOHJAVOL-UHFFFAOYSA-N Synonym: 7-hydroxy-4-trifluoromethyl coumarin,7-hydroxy-4-trifluoromethylcoumarin,7-hydroxy-4-trifluoromethyl-2h-chromen-2-one,7-hydroxy-4-trifluoromethyl chromen-2-one,4-trifluoromethyl umbelliferone,7-hydroxy-4-trifluoromethyl-chromen-2-one,2h-1-benzopyran-2-one, 7-hydroxy-4-trifluoromethyl,7,4-hfc,maybridge1_006885,tfmu PubChem CID: 5375667 IUPAC Name: 7-hydroxy-4-(trifluoromethyl)chromen-2-one SMILES: C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F

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Specifications

PubChem CID	5375667
CAS	575-03-1
Molecular Weight (g/mol)	230.142
MDL Number	MFCD00037578
SMILES	C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F
Synonym	7-hydroxy-4-trifluoromethyl coumarin,7-hydroxy-4-trifluoromethylcoumarin,7-hydroxy-4-trifluoromethyl-2h-chromen-2-one,7-hydroxy-4-trifluoromethyl chromen-2-one,4-trifluoromethyl umbelliferone,7-hydroxy-4-trifluoromethyl-chromen-2-one,2h-1-benzopyran-2-one, 7-hydroxy-4-trifluoromethyl,7,4-hfc,maybridge1_006885,tfmu
IUPAC Name	7-hydroxy-4-(trifluoromethyl)chromen-2-one
InChI Key	CCKWMCUOHJAVOL-UHFFFAOYSA-N
Molecular Formula	C10H5F3O3

137

6-Fluoro-4-hydroxycoumarin 98.0+%, TCI America™

CAS: 1994-13-4 Molecular Formula: C9H5FO3 Molecular Weight (g/mol): 180.13 MDL Number: MFCD03094006 InChI Key: JCOYNGQUPPGRNB-UHFFFAOYSA-N PubChem CID: 54691406 IUPAC Name: 6-fluoro-4-hydroxy-2H-chromen-2-one SMILES: OC1=CC(=O)OC2=CC=C(F)C=C12

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Specifications

PubChem CID	54691406
CAS	1994-13-4
Molecular Weight (g/mol)	180.13
MDL Number	MFCD03094006
SMILES	OC1=CC(=O)OC2=CC=C(F)C=C12
IUPAC Name	6-fluoro-4-hydroxy-2H-chromen-2-one
InChI Key	JCOYNGQUPPGRNB-UHFFFAOYSA-N
Molecular Formula	C9H5FO3

138

Coumarin 99.0+%, TCI America™

CAS: 91-64-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 MDL Number: MFCD00006850 InChI Key: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Synonym: coumarin,2h-chromen-2-one,2h-1-benzopyran-2-one,cumarin,1,2-benzopyrone,rattex,tonka bean camphor,coumarinic anhydride,coumarine,benzo-alpha-pyrone PubChem CID: 323 ChEBI: CHEBI:28794 IUPAC Name: 2H-chromen-2-one SMILES: O=C1OC2=CC=CC=C2C=C1

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Specifications

PubChem CID	323
CAS	91-64-5
Molecular Weight (g/mol)	146.15
ChEBI	CHEBI:28794
MDL Number	MFCD00006850
SMILES	O=C1OC2=CC=CC=C2C=C1
Synonym	coumarin,2h-chromen-2-one,2h-1-benzopyran-2-one,cumarin,1,2-benzopyrone,rattex,tonka bean camphor,coumarinic anhydride,coumarine,benzo-alpha-pyrone
IUPAC Name	2H-chromen-2-one
InChI Key	ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Molecular Formula	C9H6O2

139

7-Methylcoumarin 98.0+%, TCI America™

CAS: 2445-83-2 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00006880 InChI Key: DLHXRDUXNVEIEY-UHFFFAOYSA-N Synonym: 7-methylcoumarin,2h-1-benzopyran-2-one, 7-methyl,7-methyl-2h-chromen-2-one,coumarin, 7-methyl,7-methyl coumarin,7-methylcumarin,7-methyl-2h-1-benzopyran-2-one,unii-ycn83t03qu,7-methyl-coumarin,7-methyl-chromen-2-one PubChem CID: 17131 IUPAC Name: 7-methyl-2H-chromen-2-one SMILES: CC1=CC=C2C=CC(=O)OC2=C1

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Specifications

PubChem CID	17131
CAS	2445-83-2
Molecular Weight (g/mol)	160.17
MDL Number	MFCD00006880
SMILES	CC1=CC=C2C=CC(=O)OC2=C1
Synonym	7-methylcoumarin,2h-1-benzopyran-2-one, 7-methyl,7-methyl-2h-chromen-2-one,coumarin, 7-methyl,7-methyl coumarin,7-methylcumarin,7-methyl-2h-1-benzopyran-2-one,unii-ycn83t03qu,7-methyl-coumarin,7-methyl-chromen-2-one
IUPAC Name	7-methyl-2H-chromen-2-one
InChI Key	DLHXRDUXNVEIEY-UHFFFAOYSA-N
Molecular Formula	C10H8O2

140

4-Methylcoumarin 98.0+%, TCI America™

CAS: 607-71-6 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00185474 InChI Key: PSGQCCSGKGJLRL-UHFFFAOYSA-N PubChem CID: 11833 IUPAC Name: 4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC=CC=C12

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Specifications

PubChem CID	11833
CAS	607-71-6
Molecular Weight (g/mol)	160.172
MDL Number	MFCD00185474
SMILES	CC1=CC(=O)OC2=CC=CC=C12
IUPAC Name	4-methylchromen-2-one
InChI Key	PSGQCCSGKGJLRL-UHFFFAOYSA-N
Molecular Formula	C10H8O2

141

Coumarin 478 98.0+%, TCI America™

CAS: 41175-45-5 Molecular Formula: C18H19NO2 Molecular Weight (g/mol): 281.355 MDL Number: MFCD00041949 InChI Key: LLSRPENMALNOFW-UHFFFAOYSA-N Synonym: coumarin 106,coumarin 478,2,3,6,7,10,11-hexahydro-1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,3-oxa-16-azapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1,5 9 ,10,12 20-tetraen-4-one,coumarin 107,1h,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro-9ci PubChem CID: 100336 SMILES: C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23

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PubChem CID	100336
CAS	41175-45-5
Molecular Weight (g/mol)	281.355
MDL Number	MFCD00041949
SMILES	C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23
Synonym	coumarin 106,coumarin 478,2,3,6,7,10,11-hexahydro-1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,3-oxa-16-azapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1,5 9 ,10,12 20-tetraen-4-one,coumarin 107,1h,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro-9ci
InChI Key	LLSRPENMALNOFW-UHFFFAOYSA-N
Molecular Formula	C18H19NO2

142

Coumarin 102 97.0+%, TCI America™

CAS: 41267-76-9 Molecular Formula: C16H17NO2 Molecular Weight (g/mol): 255.317 MDL Number: MFCD00041844 InChI Key: XHXMPURWMSJENN-UHFFFAOYSA-N Synonym: coumarin 102,coumarin 480,exciton 480,ccris 4960,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-methyl,2,3,5,6-1h,4h-tetrahydro-8-methylquinolazino-9,9a,1-gh coumarin,2,3,6,7-tetrahydro-9-methyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-methyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one PubChem CID: 94517 ChEBI: CHEBI:51774 SMILES: CC1=CC(=O)OC2=C3CCCN4C3=C(CCC4)C=C12

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Specifications

PubChem CID	94517
CAS	41267-76-9
Molecular Weight (g/mol)	255.317
ChEBI	CHEBI:51774
MDL Number	MFCD00041844
SMILES	CC1=CC(=O)OC2=C3CCCN4C3=C(CCC4)C=C12
Synonym	coumarin 102,coumarin 480,exciton 480,ccris 4960,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-methyl,2,3,5,6-1h,4h-tetrahydro-8-methylquinolazino-9,9a,1-gh coumarin,2,3,6,7-tetrahydro-9-methyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-methyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one
InChI Key	XHXMPURWMSJENN-UHFFFAOYSA-N
Molecular Formula	C16H17NO2

143

7-(Dimethylamino)-4-(trifluoromethyl)coumarin 97.0+%, TCI America™

CAS: 53518-14-2 Molecular Formula: C12H10F3NO2 Molecular Weight (g/mol): 257.21 MDL Number: MFCD00041867 InChI Key: KDTAEYOYAZPLIC-UHFFFAOYSA-N Synonym: coumarin 152,7-dimethylamino-4-trifluoromethyl coumarin,2h-1-benzopyran-2-one, 7-dimethylamino-4-trifluoromethyl,7-dimethylamino-4-trifluoromethylcoumarin,7-dimethylamino-4-trifluoromethyl chromen-2-one,7-dimethylamino-4-trifluoromethyl-2h-chromen-2-one,coumarin-152,acmc-209l8g,7-nme2-4-cf3-coumarin,7-dimethylamino-4-trifluoromethyl-2-benzopyrone PubChem CID: 104522 ChEBI: CHEBI:51775 IUPAC Name: 7-(dimethylamino)-4-(trifluoromethyl)-2H-chromen-2-one SMILES: CN(C)C1=CC=C2C(OC(=O)C=C2C(F)(F)F)=C1

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Specifications

PubChem CID	104522
CAS	53518-14-2
Molecular Weight (g/mol)	257.21
ChEBI	CHEBI:51775
MDL Number	MFCD00041867
SMILES	CN(C)C1=CC=C2C(OC(=O)C=C2C(F)(F)F)=C1
Synonym	coumarin 152,7-dimethylamino-4-trifluoromethyl coumarin,2h-1-benzopyran-2-one, 7-dimethylamino-4-trifluoromethyl,7-dimethylamino-4-trifluoromethylcoumarin,7-dimethylamino-4-trifluoromethyl chromen-2-one,7-dimethylamino-4-trifluoromethyl-2h-chromen-2-one,coumarin-152,acmc-209l8g,7-nme2-4-cf3-coumarin,7-dimethylamino-4-trifluoromethyl-2-benzopyrone
IUPAC Name	7-(dimethylamino)-4-(trifluoromethyl)-2H-chromen-2-one
InChI Key	KDTAEYOYAZPLIC-UHFFFAOYSA-N
Molecular Formula	C12H10F3NO2

144

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

CAS: 50995-74-9 Molecular Formula: C14H15NO4 Molecular Weight (g/mol): 261.277 MDL Number: MFCD00068721 InChI Key: WHCPTFFIERCDSB-UHFFFAOYSA-N PubChem CID: 659294 IUPAC Name: 7-(diethylamino)-2-oxochromene-3-carboxylic acid SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)O

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Specifications

PubChem CID	659294
CAS	50995-74-9
Molecular Weight (g/mol)	261.277
MDL Number	MFCD00068721
SMILES	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)O
IUPAC Name	7-(diethylamino)-2-oxochromene-3-carboxylic acid
InChI Key	WHCPTFFIERCDSB-UHFFFAOYSA-N
Molecular Formula	C14H15NO4

145

7-(Diethylamino)-4-(hydroxymethyl)coumarin 98.0+%, TCI America™

CAS: 54711-38-5 Molecular Formula: C14H17NO3 Molecular Weight (g/mol): 247.294 MDL Number: MFCD03424352 InChI Key: NMZSXNOCNJMJQT-UHFFFAOYSA-N PubChem CID: 14532761 IUPAC Name: 7-(diethylamino)-4-(hydroxymethyl)chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)CO

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Specifications

PubChem CID	14532761
CAS	54711-38-5
Molecular Weight (g/mol)	247.294
MDL Number	MFCD03424352
SMILES	CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)CO
IUPAC Name	7-(diethylamino)-4-(hydroxymethyl)chromen-2-one
InChI Key	NMZSXNOCNJMJQT-UHFFFAOYSA-N
Molecular Formula	C14H17NO3

146

7-(Diethylamino)-4-(trifluoromethyl)coumarin 98.0+%, TCI America™

CAS: 41934-47-8 Molecular Formula: C14H14F3NO2 Molecular Weight (g/mol): 285.266 MDL Number: MFCD00057313 InChI Key: UIMOXRDVWDLOHW-UHFFFAOYSA-N Synonym: Coumarin 481 PubChem CID: 94523 ChEBI: CHEBI:51777 IUPAC Name: 7-(diethylamino)-4-(trifluoromethyl)chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F

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Specifications

PubChem CID	94523
CAS	41934-47-8
Molecular Weight (g/mol)	285.266
ChEBI	CHEBI:51777
MDL Number	MFCD00057313
SMILES	CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F
Synonym	Coumarin 481
IUPAC Name	7-(diethylamino)-4-(trifluoromethyl)chromen-2-one
InChI Key	UIMOXRDVWDLOHW-UHFFFAOYSA-N
Molecular Formula	C14H14F3NO2

147

7-Ethoxy-4-methylcoumarin 97.0+%, TCI America™

CAS: 87-05-8 Molecular Formula: C12H12O3 Molecular Weight (g/mol): 204.23 MDL Number: MFCD00016971 InChI Key: NKRISXMDKXBVRJ-UHFFFAOYSA-N Synonym: 7-ethoxy-4-methylcoumarin,7-ethoxy-4-methyl-2h-chromen-2-one,4-methyl-7-ethoxycoumarin,2h-1-benzopyran-2-one, 7-ethoxy-4-methyl,unii-zlv1s0nnzh,coumarin, 7-ethoxy-4-methyl,zlv1s0nnzh,7-ethoxy-4-methyl-chromen-2-one,coumarin, 7-ethoxy-4-methyl-8ci,7-ethoxy-4-methyl-2h-1-benzopyran-2-one PubChem CID: 66595 IUPAC Name: 7-ethoxy-4-methyl-2H-chromen-2-one SMILES: CCOC1=CC=C2C(C)=CC(=O)OC2=C1

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Specifications

PubChem CID	66595
CAS	87-05-8
Molecular Weight (g/mol)	204.23
MDL Number	MFCD00016971
SMILES	CCOC1=CC=C2C(C)=CC(=O)OC2=C1
Synonym	7-ethoxy-4-methylcoumarin,7-ethoxy-4-methyl-2h-chromen-2-one,4-methyl-7-ethoxycoumarin,2h-1-benzopyran-2-one, 7-ethoxy-4-methyl,unii-zlv1s0nnzh,coumarin, 7-ethoxy-4-methyl,zlv1s0nnzh,7-ethoxy-4-methyl-chromen-2-one,coumarin, 7-ethoxy-4-methyl-8ci,7-ethoxy-4-methyl-2h-1-benzopyran-2-one
IUPAC Name	7-ethoxy-4-methyl-2H-chromen-2-one
InChI Key	NKRISXMDKXBVRJ-UHFFFAOYSA-N
Molecular Formula	C12H12O3

148

N-Succinimidyl 7-Hydroxy-4-methylcoumarin-3-acetate 90.0+%, TCI America™

CAS: 96735-88-5 Molecular Formula: C16H13NO7 Molecular Weight (g/mol): 331.28 MDL Number: MFCD00467590 InChI Key: VODLZKHEKKGCBG-UHFFFAOYSA-N Synonym: 7-Hydroxy-4-methylcoumarin-3-acetic Acid N-Succinimidyl Ester, N-Succinimidyl 4-Methylumbelliferone-3-acetate, 4-Methylumbelliferone-3-acetic Acid N-Succinimidyl Ester PubChem CID: 5413011 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)ON3C(=O)CCC3=O

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Specifications

PubChem CID	5413011
CAS	96735-88-5
Molecular Weight (g/mol)	331.28
MDL Number	MFCD00467590
SMILES	CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)ON3C(=O)CCC3=O
Synonym	7-Hydroxy-4-methylcoumarin-3-acetic Acid N-Succinimidyl Ester, N-Succinimidyl 4-Methylumbelliferone-3-acetate, 4-Methylumbelliferone-3-acetic Acid N-Succinimidyl Ester
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
InChI Key	VODLZKHEKKGCBG-UHFFFAOYSA-N
Molecular Formula	C16H13NO7

149

Methyl Calcein Blue Hydrate [Indicator for complexometry Copper], TCI America™

CAS: 81028-96-8 Molecular Formula: C14H15NO5 Molecular Weight (g/mol): 277.276 MDL Number: MFCD00167005 InChI Key: KRMRPQPGZHQMDD-UHFFFAOYSA-N Synonym: 4-Methylumbelliferonemethylene-N-methylglycine PubChem CID: 5384392 IUPAC Name: 2-[(7-hydroxy-4-methyl-2-oxochromen-6-yl)methyl-methylamino]acetic acid SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)CN(C)CC(=O)O)O

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Specifications

PubChem CID	5384392
CAS	81028-96-8
Molecular Weight (g/mol)	277.276
MDL Number	MFCD00167005
SMILES	CC1=CC(=O)OC2=CC(=C(C=C12)CN(C)CC(=O)O)O
Synonym	4-Methylumbelliferonemethylene-N-methylglycine
IUPAC Name	2-[(7-hydroxy-4-methyl-2-oxochromen-6-yl)methyl-methylamino]acetic acid
InChI Key	KRMRPQPGZHQMDD-UHFFFAOYSA-N
Molecular Formula	C14H15NO5

150

iMDK, Tocris Bioscience™

CAS: 881970-80-5 Molecular Formula: C21H13FN2O2S Molecular Weight (g/mol): 376.405 InChI Key: IWFKQTWYILKFGE-UHFFFAOYSA-N Synonym: imdk,3-2-4-fluorobenzyl imidazo 2,1-b 1,3 thiazol-6-yl-2h-chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b thiazol-6-yl-2h-1-benzopyran-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3 thiazol-6-yl chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3-thiazolin-6-yl chromen-2-one PubChem CID: 15991416 IUPAC Name: 3-[2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]chromen-2-one SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(SC4=N3)CC5=CC=C(C=C5)F

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Specifications

PubChem CID	15991416
CAS	881970-80-5
Molecular Weight (g/mol)	376.405
SMILES	C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(SC4=N3)CC5=CC=C(C=C5)F
Synonym	imdk,3-2-4-fluorobenzyl imidazo 2,1-b 1,3 thiazol-6-yl-2h-chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b thiazol-6-yl-2h-1-benzopyran-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3 thiazol-6-yl chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3-thiazolin-6-yl chromen-2-one
IUPAC Name	3-[2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]chromen-2-one
InChI Key	IWFKQTWYILKFGE-UHFFFAOYSA-N
Molecular Formula	C21H13FN2O2S

Coumarins and derivatives

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