3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one

C25H18ClNO7 — CID 108652672

About 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108652672) has the molecular formula C25H18ClNO7 and a molecular weight of 479.87 g/mol. Its IUPAC name is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one
• PubChem CID: 108652672
• Molecular Formula: C25H18ClNO7
• Molecular Weight: 479.87 g/mol
• Exact Mass: 479.08
• IUPAC Name: 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one
• SMILES: COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)cc(OC)c4o3)C2c2ccco2)c1
• InChI: InChI=1S/C25H18ClNO7/c1-31-16-6-3-5-15(12-16)27-21(17-7-4-8-33-17)20(23(29)25(27)30)22(28)18-10-13-9-14(26)11-19(32-2)24(13)34-18/h3-12,21,29H,1-2H3
• InChIKey: PSVPHFGFHQQGQN-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 102.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.87
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one (CID 108652672) is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one.

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

The canonical SMILES for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one is COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)cc(OC)c4o3)C2c2ccco2)c1.

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

The InChIKey is PSVPHFGFHQQGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO7/c1-31-16-6-3-5-15(12-16)27-21(17-7-4-8-33-17)20(23(29)25(27)30)22(28)18-10-13-9-14(26)11-19(32-2)24(13)34-18/h3-12,21,29H,1-2H3.

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

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 479.87 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108652672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).