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Isocoumarans

Aromatic bicyclic organic compounds that consist of a benzene ring fused to a furan ring; they are also known as phthalanes.
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Keyword Search:
1 – 13 of 13 results
1

Phthalan, 98%

CAS: 496-14-0 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00005932 InChI Key: SFLGSKRGOWRGBR-UHFFFAOYSA-N Synonym: phthalan,1,3-dihydroisobenzofuran,isocoumaran,isobenzofuran, 1,3-dihydro,o-xylylene oxide,2-oxaindan,1,3-dihydro isobenzofuran,unii-2r6ntq7y6g,ccris 1557,2r6ntq7y6g PubChem CID: 10327 IUPAC Name: 1,3-dihydro-2-benzofuran SMILES: C1C2=CC=CC=C2CO1

PubChem CID 10327
CAS 496-14-0
Molecular Weight (g/mol) 120.151
MDL Number MFCD00005932
SMILES C1C2=CC=CC=C2CO1
Synonym phthalan,1,3-dihydroisobenzofuran,isocoumaran,isobenzofuran, 1,3-dihydro,o-xylylene oxide,2-oxaindan,1,3-dihydro isobenzofuran,unii-2r6ntq7y6g,ccris 1557,2r6ntq7y6g
IUPAC Name 1,3-dihydro-2-benzofuran
InChI Key SFLGSKRGOWRGBR-UHFFFAOYSA-N
Molecular Formula C8H8O
2

Tofogliflozin, TRC

CAS: 903565-83-3 Molecular Formula: C22 H26 O6 Molecular Weight (g/mol): 386.44 Synonym: (1S,3'R,4'S,5'S,6'R)-6-[(4-Ethylphenyl)methyl]-3',4',5',6'-tetrahydro-6'-(hydroxymethyl)spiro[isobenzofuran-1(3H),2'-[2H]pyran]-3',4',5'-triol,CSG 452 IUPAC Name: (3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol SMILES: CCc1ccc(Cc2ccc3COC4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1

CAS 903565-83-3
Molecular Weight (g/mol) 386.44
SMILES CCc1ccc(Cc2ccc3COC4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1
Synonym (1S,3'R,4'S,5'S,6'R)-6-[(4-Ethylphenyl)methyl]-3',4',5',6'-tetrahydro-6'-(hydroxymethyl)spiro[isobenzofuran-1(3H),2'-[2H]pyran]-3',4',5'-triol,CSG 452
IUPAC Name (3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
Molecular Formula C22 H26 O6
3

7-Hydroxy-5-methoxy-4-methyl-6-[2-(tetrahydro-2-methyl-5-oxo-2-furanyl)ethyl]-1(3H)-isobenzofuranone, TRC

CAS: 26675-76-3 Molecular Formula: C17 H20 O6 Molecular Weight (g/mol): 320.34 Synonym: 1(3H)-Isobenzofuranone, 7-hydroxy-5-methoxy-4-methyl-6-[2-(tetrahydro-2-methyl-5-oxo-2-furanyl)ethyl]- (9CI),Phthalide, 7-hydroxy-5-methoxy-4-methyl-6-[2-(tetrahydro-2-methyl-5-oxo-2-furyl)ethyl]- (8CI),7-Hydroxy-5-methoxy-4-methyl-6-[2-[(2RS)-2-methyl-5-oxotetrahydrofuran-2-yl]ethyl]isobenzofuran-1(3H)-one,Mycophenolate Mofetil Imp. H (EP),Mycophenolate Sodium Imp. A (EP),Mycophenolic Acid Lactone IUPAC Name: 7-hydroxy-5-methoxy-4-methyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]-3H-2-benzofuran-1-one SMILES: COc1c(C)c2COC(=O)c2c(O)c1CCC3(C)CCC(=O)O3

CAS 26675-76-3
Molecular Weight (g/mol) 320.34
SMILES COc1c(C)c2COC(=O)c2c(O)c1CCC3(C)CCC(=O)O3
Synonym 1(3H)-Isobenzofuranone, 7-hydroxy-5-methoxy-4-methyl-6-[2-(tetrahydro-2-methyl-5-oxo-2-furanyl)ethyl]- (9CI),Phthalide, 7-hydroxy-5-methoxy-4-methyl-6-[2-(tetrahydro-2-methyl-5-oxo-2-furyl)ethyl]- (8CI),7-Hydroxy-5-methoxy-4-methyl-6-[2-[(2RS)-2-methyl-5-oxotetrahydrofuran-2-yl]ethyl]isobenzofuran-1(3H)-one,Mycophenolate Mofetil Imp. H (EP),Mycophenolate Sodium Imp. A (EP),Mycophenolic Acid Lactone
IUPAC Name 7-hydroxy-5-methoxy-4-methyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]-3H-2-benzofuran-1-one
Molecular Formula C17 H20 O6
4

3-(Methoxymethylene)-2(3H)-benzofuranone, TRC

CAS: 40800-90-6 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 IUPAC Name: (3Z)-3-(methoxymethylidene)-1-benzofuran-2-one SMILES: CO\C=C\1/C(=O)Oc2ccccc12

CAS 40800-90-6
Molecular Weight (g/mol) 176.17
SMILES CO\C=C\1/C(=O)Oc2ccccc12
IUPAC Name (3Z)-3-(methoxymethylidene)-1-benzofuran-2-one
Molecular Formula C10H8O3
5

Mycophenolate Mofetil N-Oxide (EP Impurity G), TRC

CAS: 224052-51-1 Molecular Formula: C23 H31 N O8 Molecular Weight (g/mol): 449.49 Synonym: 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-oxido-4-morpholinyl)ethyl ester, (4E)- (9CI),2-(Morpholin-4-yl)ethyl (4E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate N-Oxide,Mycophenolate Mofetil N-Oxide IUPAC Name: 2-(4-oxidomorpholin-4-ium-4-yl)ethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate SMILES: COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)OCC[N+]3([O-])CCOCC3

CAS 224052-51-1
Molecular Weight (g/mol) 449.49
SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)OCC[N+]3([O-])CCOCC3
Synonym 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-oxido-4-morpholinyl)ethyl ester, (4E)- (9CI),2-(Morpholin-4-yl)ethyl (4E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate N-Oxide,Mycophenolate Mofetil N-Oxide
IUPAC Name 2-(4-oxidomorpholin-4-ium-4-yl)ethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Molecular Formula C23 H31 N O8
6

Phthalide, TRC

CAS: 87-41-2 Molecular Formula: C8 H6 O2 Molecular Weight (g/mol): 134.13 Synonym: 1(3H)-Isobenzofuranone (9CI, ACI),Phthalide (6CI, 8CI),1,3-Dihydro-2-benzofuran-1-one,1-Phthalanone,2-Benzofuran-1(3H)-one,2-Hydroxymethylbenzoic acid γ-lactone,3H-Isobenzofuran-1-one,NSC 1469,Phthalolactone IUPAC Name: 3H-2-benzofuran-1-one SMILES: O=C1OCc2ccccc12

CAS 87-41-2
Molecular Weight (g/mol) 134.13
SMILES O=C1OCc2ccccc12
Synonym 1(3H)-Isobenzofuranone (9CI, ACI),Phthalide (6CI, 8CI),1,3-Dihydro-2-benzofuran-1-one,1-Phthalanone,2-Benzofuran-1(3H)-one,2-Hydroxymethylbenzoic acid γ-lactone,3H-Isobenzofuran-1-one,NSC 1469,Phthalolactone
IUPAC Name 3H-2-benzofuran-1-one
Molecular Formula C8 H6 O2
7

Meconin, TRC

CAS: 569-31-3 Molecular Formula: C10 H10 O4 Molecular Weight (g/mol): 194.18 Synonym: 1(3H)-Isobenzofuranone, 6,7-dimethoxy-,Phthalide, 6,7-dimethoxy- (6CI,7CI,8CI),6,7-Dimethoxy-1(3H)-isobenzofuranone,6,7-Dimethoxyphthalide,Meconic lactone,Meconin,Meconine,NSC 35547,Opianyl IUPAC Name: 6,7-dimethoxy-3H-2-benzofuran-1-one SMILES: COc1ccc2COC(=O)c2c1OC

CAS 569-31-3
Molecular Weight (g/mol) 194.18
SMILES COc1ccc2COC(=O)c2c1OC
Synonym 1(3H)-Isobenzofuranone, 6,7-dimethoxy-,Phthalide, 6,7-dimethoxy- (6CI,7CI,8CI),6,7-Dimethoxy-1(3H)-isobenzofuranone,6,7-Dimethoxyphthalide,Meconic lactone,Meconin,Meconine,NSC 35547,Opianyl
IUPAC Name 6,7-dimethoxy-3H-2-benzofuran-1-one
Molecular Formula C10 H10 O4
9

3-(4-Chlorobenzal)phthalide, TRC

CAS: 20526-97-0 Molecular Formula: C15 H9 Cl O2 Molecular Weight (g/mol): 256.68 Synonym: 1(3H)-Isobenzofuranone, 3-[(4-chlorophenyl)methylene]-,Phthalide, 3-(p-chlorobenzylidene)- (6CI,7CI,8CI),3-(4-Chlorobenzal)phthalide,3-(4-Chlorobenzylidene)-2-benzofuran-1(3H)-one,3-(p-Chlorobenzylidene)phthalide,Azelastine Related Compound E (USP) IUPAC Name: 3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one SMILES: Clc1ccc(C=C2OC(=O)c3ccccc23)cc1

CAS 20526-97-0
Molecular Weight (g/mol) 256.68
SMILES Clc1ccc(C=C2OC(=O)c3ccccc23)cc1
Synonym 1(3H)-Isobenzofuranone, 3-[(4-chlorophenyl)methylene]-,Phthalide, 3-(p-chlorobenzylidene)- (6CI,7CI,8CI),3-(4-Chlorobenzal)phthalide,3-(4-Chlorobenzylidene)-2-benzofuran-1(3H)-one,3-(p-Chlorobenzylidene)phthalide,Azelastine Related Compound E (USP)
IUPAC Name 3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one
Molecular Formula C15 H9 Cl O2
12

O-Methyl Mycophenolate Mofetil (EP Impurity D), TRC

CAS: 1322681-37-7 Molecular Formula: C24 H33 N O7 Molecular Weight (g/mol): 447.52 Synonym: 4-Hexenoic acid, 6-(1,3-dihydro-4,6-dimethoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (4E)-,2-(Morpholin-4-yl)ethyl (4E)-6-(4,6-Dimethoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methylhex-4-enoate,Mycophenolate Mofetil Imp. D (EP) IUPAC Name: 2-morpholin-4-ylethyl (E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate SMILES: COc1c(C)c2COC(=O)c2c(OC)c1C\C=C(/C)\CCC(=O)OCCN3CCOCC3

CAS 1322681-37-7
Molecular Weight (g/mol) 447.52
SMILES COc1c(C)c2COC(=O)c2c(OC)c1C\C=C(/C)\CCC(=O)OCCN3CCOCC3
Synonym 4-Hexenoic acid, 6-(1,3-dihydro-4,6-dimethoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (4E)-,2-(Morpholin-4-yl)ethyl (4E)-6-(4,6-Dimethoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methylhex-4-enoate,Mycophenolate Mofetil Imp. D (EP)
IUPAC Name 2-morpholin-4-ylethyl (E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Molecular Formula C24 H33 N O7
13

Mycophenolic Acid Carboxybutoxy Ether, TRC

CAS: 931407-27-1 Molecular Formula: C22H28O8 Molecular Weight (g/mol): 420.45 Synonym: (4E)-6-[4-(4-Carboxybutoxy)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl]-4-methyl-4-hexenoic Acid,MPAC; IUPAC Name: (E)-6-(4-(4-carboxybutoxy)-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid SMILES: CC1=C(C(=C(C2=C1COC2=O)OCCCCC(=O)O)C/C=C(\C)/CCC(=O)O)OC

CAS 931407-27-1
Molecular Weight (g/mol) 420.45
SMILES CC1=C(C(=C(C2=C1COC2=O)OCCCCC(=O)O)C/C=C(\C)/CCC(=O)O)OC
Synonym (4E)-6-[4-(4-Carboxybutoxy)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl]-4-methyl-4-hexenoic Acid,MPAC;
IUPAC Name (E)-6-(4-(4-carboxybutoxy)-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid
Molecular Formula C22H28O8