1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one

C28H23NO6 — CID 108597796

About 1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one

1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 108597796) has the molecular formula C28H23NO6 and a molecular weight of 469.49 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
• PubChem CID: 108597796
• Molecular Formula: C28H23NO6
• Molecular Weight: 469.49 g/mol
• Exact Mass: 469.15
• IUPAC Name: 1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
• SMILES: CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)C2c2ccccc2)c1
• InChI: InChI=1S/C28H23NO6/c1-3-34-20-13-8-12-19(16-20)29-24(17-9-5-4-6-10-17)23(26(31)28(29)32)25(30)22-15-18-11-7-14-21(33-2)27(18)35-22/h4-16,24,31H,3H2,1-2H3
• InChIKey: ZOJRYXYORGLVGP-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 89.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.49
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one?

The IUPAC name of 1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one (CID 108597796) is 1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one.

What is the SMILES notation for 1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one?

The canonical SMILES for 1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one is CCOc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cccc(OC)c4o3)C2c2ccccc2)c1.

What is the InChIKey of 1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one?

The InChIKey is ZOJRYXYORGLVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO6/c1-3-34-20-13-8-12-19(16-20)29-24(17-9-5-4-6-10-17)23(26(31)28(29)32)25(30)22-15-18-11-7-14-21(33-2)27(18)35-22/h4-16,24,31H,3H2,1-2H3.

What are the key properties of 1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one?

1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 469.49 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 108597796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).