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

C26H18FNO5 — CID 108638141

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

1-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 108638141) has the molecular formula C26H18FNO5 and a molecular weight of 443.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
• PubChem CID: 108638141
• Molecular Formula: C26H18FNO5
• Molecular Weight: 443.43 g/mol
• Exact Mass: 443.12
• IUPAC Name: 1-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
• SMILES: COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)C3c3ccccc3)oc12
• InChI: InChI=1S/C26H18FNO5/c1-32-19-9-5-8-16-14-20(33-25(16)19)23(29)21-22(15-6-3-2-4-7-15)28(26(31)24(21)30)18-12-10-17(27)11-13-18/h2-14,22,30H,1H3
• InChIKey: BBXKWPXXZQAQNO-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 79.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.43
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one (CID 108638141) is 1-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one.

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

The canonical SMILES for 1-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one is COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(F)cc4)C3c3ccccc3)oc12.

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

The InChIKey is BBXKWPXXZQAQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FNO5/c1-32-19-9-5-8-16-14-20(33-25(16)19)23(29)21-22(15-6-3-2-4-7-15)28(26(31)24(21)30)18-12-10-17(27)11-13-18/h2-14,22,30H,1H3.

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

1-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 443.43 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 108638141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).