3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one

C23H18BrNO4 — CID 171480821

IUPAC3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one
SMILESO=C1C(c2cccc(Br)c2)=CC(O)(c2ccccc2O)N1OCc1ccccc1
InChIInChI=1S/C23H18BrNO4/c24-18-10-6-9-17(13-18)19-14-23(28,20-11-4-5-12-21(20)26)25(22(19)27)29-15-16-7-2-1-3-8-16/h1-14,26,28H,15H2
InChIKeyGVEIZSWNCXFFFL-UHFFFAOYSA-N
MW452.30 g/mol
LogP4.36
Rot. Bonds5

About 3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one

3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one (PubChem CID 171480821) has the molecular formula C23H18BrNO4 and a molecular weight of 452.30 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one
PubChem CID171480821
Molecular FormulaC23H18BrNO4
Molecular Weight452.30 g/mol
Exact Mass451.04
IUPAC Name3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one
SMILESO=C1C(c2cccc(Br)c2)=CC(O)(c2ccccc2O)N1OCc1ccccc1
InChIInChI=1S/C23H18BrNO4/c24-18-10-6-9-17(13-18)19-14-23(28,20-11-4-5-12-21(20)26)25(22(19)27)29-15-16-7-2-1-3-8-16/h1-14,26,28H,15H2
InChIKeyGVEIZSWNCXFFFL-UHFFFAOYSA-N
XLogP4.36
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.30
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-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-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one?
The IUPAC name of 3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one (CID 171480821) is 3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one.
What is the SMILES notation for 3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one?
The canonical SMILES for 3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one is O=C1C(c2cccc(Br)c2)=CC(O)(c2ccccc2O)N1OCc1ccccc1.
What is the InChIKey of 3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one?
The InChIKey is GVEIZSWNCXFFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrNO4/c24-18-10-6-9-17(13-18)19-14-23(28,20-11-4-5-12-21(20)26)25(22(19)27)29-15-16-7-2-1-3-8-16/h1-14,26,28H,15H2.
What are the key properties of 3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one?
3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one has a molecular weight of 452.30 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-hydroxy-5-(2-hydroxyphenyl)-1-phenylmethoxypyrrol-2-one is sourced from PubChem (CID 171480821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).