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

C29H25NO6 — CID 108584966

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

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108584966) has the molecular formula C29H25NO6 and a molecular weight of 483.52 g/mol. Its IUPAC name is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-pyrrol-5-one
• PubChem CID: 108584966
• Molecular Formula: C29H25NO6
• Molecular Weight: 483.52 g/mol
• Exact Mass: 483.17
• IUPAC Name: 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-pyrrol-5-one
• SMILES: COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)C2c2cccc(C)c2)cc1
• InChI: InChI=1S/C29H25NO6/c1-17-6-4-7-19(14-17)25-24(26(31)23-15-20-8-5-9-22(35-3)28(20)36-23)27(32)29(33)30(25)16-18-10-12-21(34-2)13-11-18/h4-15,25,32H,16H2,1-3H3
• InChIKey: VMGRYVOWNQTLKJ-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 89.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.52
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-pyrrol-5-one (CID 108584966) is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-pyrrol-5-one.

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

The canonical SMILES for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-pyrrol-5-one is COc1ccc(CN2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)C2c2cccc(C)c2)cc1.

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

The InChIKey is VMGRYVOWNQTLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO6/c1-17-6-4-7-19(14-17)25-24(26(31)23-15-20-8-5-9-22(35-3)28(20)36-23)27(32)29(33)30(25)16-18-10-12-21(34-2)13-11-18/h4-15,25,32H,16H2,1-3H3.

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

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 483.52 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-(3-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108584966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).