3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one

C29H22BrNO3 — CID 171480806

IUPAC3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one
SMILESO=C1C(c2cccc(Br)c2)=CC(O)(c2ccc(-c3ccccc3)cc2)N1OCc1ccccc1
InChIInChI=1S/C29H22BrNO3/c30-26-13-7-12-24(18-26)27-19-29(33,31(28(27)32)34-20-21-8-3-1-4-9-21)25-16-14-23(15-17-25)22-10-5-2-6-11-22/h1-19,33H,20H2
InChIKeyIQXKZTKIRXCNHM-UHFFFAOYSA-N
MW512.40 g/mol
LogP6.32
Rot. Bonds6

About 3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one

3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one (PubChem CID 171480806) has the molecular formula C29H22BrNO3 and a molecular weight of 512.40 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one
PubChem CID171480806
Molecular FormulaC29H22BrNO3
Molecular Weight512.40 g/mol
Exact Mass511.08
IUPAC Name3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one
SMILESO=C1C(c2cccc(Br)c2)=CC(O)(c2ccc(-c3ccccc3)cc2)N1OCc1ccccc1
InChIInChI=1S/C29H22BrNO3/c30-26-13-7-12-24(18-26)27-19-29(33,31(28(27)32)34-20-21-8-3-1-4-9-21)25-16-14-23(15-17-25)22-10-5-2-6-11-22/h1-19,33H,20H2
InChIKeyIQXKZTKIRXCNHM-UHFFFAOYSA-N
XLogP6.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.40
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one?
The IUPAC name of 3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one (CID 171480806) is 3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one.
What is the SMILES notation for 3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one?
The canonical SMILES for 3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one is O=C1C(c2cccc(Br)c2)=CC(O)(c2ccc(-c3ccccc3)cc2)N1OCc1ccccc1.
What is the InChIKey of 3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one?
The InChIKey is IQXKZTKIRXCNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22BrNO3/c30-26-13-7-12-24(18-26)27-19-29(33,31(28(27)32)34-20-21-8-3-1-4-9-21)25-16-14-23(15-17-25)22-10-5-2-6-11-22/h1-19,33H,20H2.
What are the key properties of 3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one?
3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one has a molecular weight of 512.40 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-hydroxy-1-phenylmethoxy-5-(4-phenylphenyl)pyrrol-2-one is sourced from PubChem (CID 171480806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).