2-(2-bromophenyl)benzoic acid

C13H9BrO2 — CID 18546493

IUPAC2-(2-bromophenyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1Br
InChIInChI=1S/C13H9BrO2/c14-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13(15)16/h1-8H,(H,15,16)
InChIKeyBQVRHBOGZLFYEZ-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.81
Rot. Bonds2

About 2-(2-bromophenyl)benzoic acid

2-(2-bromophenyl)benzoic acid (PubChem CID 18546493) has the molecular formula C13H9BrO2 and a molecular weight of 277.12 g/mol. Its IUPAC name is 2-(2-bromophenyl)benzoic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)benzoic acid
PubChem CID18546493
Molecular FormulaC13H9BrO2
Molecular Weight277.12 g/mol
Exact Mass275.98
IUPAC Name2-(2-bromophenyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1Br
InChIInChI=1S/C13H9BrO2/c14-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13(15)16/h1-8H,(H,15,16)
InChIKeyBQVRHBOGZLFYEZ-UHFFFAOYSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromophenyl)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 2-(2-bromophenyl)benzoic acid?
The IUPAC name of 2-(2-bromophenyl)benzoic acid (CID 18546493) is 2-(2-bromophenyl)benzoic acid.
What is the SMILES notation for 2-(2-bromophenyl)benzoic acid?
The canonical SMILES for 2-(2-bromophenyl)benzoic acid is O=C(O)c1ccccc1-c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)benzoic acid?
The InChIKey is BQVRHBOGZLFYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO2/c14-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13(15)16/h1-8H,(H,15,16).
What are the key properties of 2-(2-bromophenyl)benzoic acid?
2-(2-bromophenyl)benzoic acid has a molecular weight of 277.12 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)benzoic acid is sourced from PubChem (CID 18546493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).