4-bromo-3-(3-hydroxyphenyl)benzoic acid

C13H9BrO3 — CID 115053012

IUPAC4-bromo-3-(3-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(Br)c(-c2cccc(O)c2)c1
InChIInChI=1S/C13H9BrO3/c14-12-5-4-9(13(16)17)7-11(12)8-2-1-3-10(15)6-8/h1-7,15H,(H,16,17)
InChIKeyCGRCPQLQOBNTOS-UHFFFAOYSA-N
MW293.12 g/mol
LogP3.52
Rot. Bonds2

About 4-bromo-3-(3-hydroxyphenyl)benzoic acid

4-bromo-3-(3-hydroxyphenyl)benzoic acid (PubChem CID 115053012) has the molecular formula C13H9BrO3 and a molecular weight of 293.12 g/mol. Its IUPAC name is 4-bromo-3-(3-hydroxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-bromo-3-(3-hydroxyphenyl)benzoic acid
PubChem CID115053012
Molecular FormulaC13H9BrO3
Molecular Weight293.12 g/mol
Exact Mass291.97
IUPAC Name4-bromo-3-(3-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(Br)c(-c2cccc(O)c2)c1
InChIInChI=1S/C13H9BrO3/c14-12-5-4-9(13(16)17)7-11(12)8-2-1-3-10(15)6-8/h1-7,15H,(H,16,17)
InChIKeyCGRCPQLQOBNTOS-UHFFFAOYSA-N
XLogP3.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-(3-hydroxyphenyl)benzoic acid 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 4-bromo-3-(3-hydroxyphenyl)benzoic acid?
The IUPAC name of 4-bromo-3-(3-hydroxyphenyl)benzoic acid (CID 115053012) is 4-bromo-3-(3-hydroxyphenyl)benzoic acid.
What is the SMILES notation for 4-bromo-3-(3-hydroxyphenyl)benzoic acid?
The canonical SMILES for 4-bromo-3-(3-hydroxyphenyl)benzoic acid is O=C(O)c1ccc(Br)c(-c2cccc(O)c2)c1.
What is the InChIKey of 4-bromo-3-(3-hydroxyphenyl)benzoic acid?
The InChIKey is CGRCPQLQOBNTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO3/c14-12-5-4-9(13(16)17)7-11(12)8-2-1-3-10(15)6-8/h1-7,15H,(H,16,17).
What are the key properties of 4-bromo-3-(3-hydroxyphenyl)benzoic acid?
4-bromo-3-(3-hydroxyphenyl)benzoic acid has a molecular weight of 293.12 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3-hydroxyphenyl)benzoic acid is sourced from PubChem (CID 115053012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).