3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one

C30H27NO5 — CID 108670699

About 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108670699) has the molecular formula C30H27NO5 and a molecular weight of 481.55 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one
• PubChem CID: 108670699
• Molecular Formula: C30H27NO5
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.19
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one
• SMILES: COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(C(C)(C)C)cc2)c1
• InChI: InChI=1S/C30H27NO5/c1-30(2,3)20-14-12-18(13-15-20)26-25(27(32)24-16-19-8-5-6-11-23(19)36-24)28(33)29(34)31(26)21-9-7-10-22(17-21)35-4/h5-17,26,33H,1-4H3
• InChIKey: MOIOBXLFBYEOED-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 79.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one (CID 108670699) is 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one is COc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(C(C)(C)C)cc2)c1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one?

The InChIKey is MOIOBXLFBYEOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO5/c1-30(2,3)20-14-12-18(13-15-20)26-25(27(32)24-16-19-8-5-6-11-23(19)36-24)28(33)29(34)31(26)21-9-7-10-22(17-21)35-4/h5-17,26,33H,1-4H3.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 481.55 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108670699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).