2-(4-ethylphenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one

C27H27NO3 — CID 50774151

About 2-(4-ethylphenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one

2-(4-ethylphenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 50774151) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 2-(4-ethylphenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
• PubChem CID: 50774151
• Molecular Formula: C27H27NO3
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.20
• IUPAC Name: 2-(4-ethylphenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
• SMILES: CCc1ccc(C2C(c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(OC)c2)cc1
• InChI: InChI=1S/C27H27NO3/c1-4-19-10-14-22(15-11-19)25-24(21-12-8-18(2)9-13-21)26(29)27(30)28(25)17-20-6-5-7-23(16-20)31-3/h5-16,25,29H,4,17H2,1-3H3
• InChIKey: UERKHGAUIKAANT-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 49.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-(4-ethylphenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one (CID 50774151) is 2-(4-ethylphenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one.

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

The canonical SMILES for 2-(4-ethylphenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one is CCc1ccc(C2C(c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccc(OC)c2)cc1.

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

The InChIKey is UERKHGAUIKAANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c1-4-19-10-14-22(15-11-19)25-24(21-12-8-18(2)9-13-21)26(29)27(30)28(25)17-20-6-5-7-23(16-20)31-3/h5-16,25,29H,4,17H2,1-3H3.

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

2-(4-ethylphenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 413.52 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethylphenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 50774151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).