3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one

C29H25NO6 — CID 108689277

IUPAC3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H25NO6/c1-3-35-22-12-8-18(9-13-22)17-30-26(19-10-14-21(34-2)15-11-19)25(28(32)29(30)33)27(31)24-16-20-6-4-5-7-23(20)36-24/h4-16,26,32H,3,17H2,1-2H3
InChIKeyOKLUCENPTQABRV-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.62
Rot. Bonds8

About 3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108689277) has the molecular formula C29H25NO6 and a molecular weight of 483.52 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID108689277
Molecular FormulaC29H25NO6
Molecular Weight483.52 g/mol
Exact Mass483.17
IUPAC Name3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H25NO6/c1-3-35-22-12-8-18(9-13-22)17-30-26(19-10-14-21(34-2)15-11-19)25(28(32)29(30)33)27(31)24-16-20-6-4-5-7-23(20)36-24/h4-16,26,32H,3,17H2,1-2H3
InChIKeyOKLUCENPTQABRV-UHFFFAOYSA-N
XLogP5.62
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-benzofuran-2-carbonyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108701295
3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 4175163
(2R)-3-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 28662166
3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 3267394
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-(3-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108721492
3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108655839
3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 3324353
3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 3265517
1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108689246
3-(1-benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 3274347
3-(1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108674787
3-(1-benzofuran-2-carbonyl)-2-(4-butoxy-3-methoxyphenyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 3272035

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one (CID 108689277) is 3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one is CCOc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is OKLUCENPTQABRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO6/c1-3-35-22-12-8-18(9-13-22)17-30-26(19-10-14-21(34-2)15-11-19)25(28(32)29(30)33)27(31)24-16-20-6-4-5-7-23(20)36-24/h4-16,26,32H,3,17H2,1-2H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 483.52 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108689277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).