2-(4-bromo-3-methylbenzoyl)benzoic acid

C15H11BrO3 — CID 123816011

IUPAC2-(4-bromo-3-methylbenzoyl)benzoic acid
SMILESCc1cc(C(=O)c2ccccc2C(=O)O)ccc1Br
InChIInChI=1S/C15H11BrO3/c1-9-8-10(6-7-13(9)16)14(17)11-4-2-3-5-12(11)15(18)19/h2-8H,1H3,(H,18,19)
InChIKeyIHOGTXNMHJNNRU-UHFFFAOYSA-N
MW319.15 g/mol
LogP3.69
Rot. Bonds3

About 2-(4-bromo-3-methylbenzoyl)benzoic acid

2-(4-bromo-3-methylbenzoyl)benzoic acid (PubChem CID 123816011) has the molecular formula C15H11BrO3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-(4-bromo-3-methylbenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(4-bromo-3-methylbenzoyl)benzoic acid
PubChem CID123816011
Molecular FormulaC15H11BrO3
Molecular Weight319.15 g/mol
Exact Mass317.99
IUPAC Name2-(4-bromo-3-methylbenzoyl)benzoic acid
SMILESCc1cc(C(=O)c2ccccc2C(=O)O)ccc1Br
InChIInChI=1S/C15H11BrO3/c1-9-8-10(6-7-13(9)16)14(17)11-4-2-3-5-12(11)15(18)19/h2-8H,1H3,(H,18,19)
InChIKeyIHOGTXNMHJNNRU-UHFFFAOYSA-N
XLogP3.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-3-methylbenzoyl)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

Related Compounds

(2-aminophenyl)-(4-bromo-3-methylphenyl)methanone
CID 82073342
4-(2-methylbenzoyl)phthalic acid
CID 22362607
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
2-(3-methylbenzoyl)benzoic acid
CID 2801746
(4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 113396681
4-(2-acetylbenzoyl)phthalic acid
CID 71123619
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840024
5-(2-carboxybenzoyl)-N-hydroxy-2-methylbenzeneamine oxide
CID 163167282
(4-bromo-3-methylphenyl)-isoquinolin-4-ylmethanone
CID 114971892
2-(3-tert-butyl-4-hydroxybenzoyl)benzoic acid
CID 139838866

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylbenzoyl)benzoic acid?
The IUPAC name of 2-(4-bromo-3-methylbenzoyl)benzoic acid (CID 123816011) is 2-(4-bromo-3-methylbenzoyl)benzoic acid.
What is the SMILES notation for 2-(4-bromo-3-methylbenzoyl)benzoic acid?
The canonical SMILES for 2-(4-bromo-3-methylbenzoyl)benzoic acid is Cc1cc(C(=O)c2ccccc2C(=O)O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylbenzoyl)benzoic acid?
The InChIKey is IHOGTXNMHJNNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3/c1-9-8-10(6-7-13(9)16)14(17)11-4-2-3-5-12(11)15(18)19/h2-8H,1H3,(H,18,19).
What are the key properties of 2-(4-bromo-3-methylbenzoyl)benzoic acid?
2-(4-bromo-3-methylbenzoyl)benzoic acid has a molecular weight of 319.15 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylbenzoyl)benzoic acid is sourced from PubChem (CID 123816011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).