4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

C27H23NO7 — CID 108609622

About 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (PubChem CID 108609622) has the molecular formula C27H23NO7 and a molecular weight of 473.48 g/mol. Its IUPAC name is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
• PubChem CID: 108609622
• Molecular Formula: C27H23NO7
• Molecular Weight: 473.48 g/mol
• Exact Mass: 473.15
• IUPAC Name: 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
• SMILES: COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)C2c2ccc(C)o2)cc1
• InChI: InChI=1S/C27H23NO7/c1-15-7-12-19(34-15)23-22(24(29)21-13-17-5-4-6-20(33-3)26(17)35-21)25(30)27(31)28(23)14-16-8-10-18(32-2)11-9-16/h4-13,23,30H,14H2,1-3H3
• InChIKey: GLVQYPZRDSCGHJ-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 102.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.48
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?

The IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (CID 108609622) is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.

What is the SMILES notation for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?

The canonical SMILES for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)C2c2ccc(C)o2)cc1.

What is the InChIKey of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?

The InChIKey is GLVQYPZRDSCGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO7/c1-15-7-12-19(34-15)23-22(24(29)21-13-17-5-4-6-20(33-3)26(17)35-21)25(30)27(31)28(23)14-16-8-10-18(32-2)11-9-16/h4-13,23,30H,14H2,1-3H3.

What are the key properties of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one has a molecular weight of 473.48 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108609622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).