3-chloro-4-(2,4-dimethylphenyl)benzoic acid

C15H13ClO2 — CID 81307407

IUPAC3-chloro-4-(2,4-dimethylphenyl)benzoic acid
SMILESCc1ccc(-c2ccc(C(=O)O)cc2Cl)c(C)c1
InChIInChI=1S/C15H13ClO2/c1-9-3-5-12(10(2)7-9)13-6-4-11(15(17)18)8-14(13)16/h3-8H,1-2H3,(H,17,18)
InChIKeyQWIKPODSOUZWEU-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.32
Rot. Bonds2

About 3-chloro-4-(2,4-dimethylphenyl)benzoic acid

3-chloro-4-(2,4-dimethylphenyl)benzoic acid (PubChem CID 81307407) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-chloro-4-(2,4-dimethylphenyl)benzoic acid.

Molecular Properties

Compound Name3-chloro-4-(2,4-dimethylphenyl)benzoic acid
PubChem CID81307407
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name3-chloro-4-(2,4-dimethylphenyl)benzoic acid
SMILESCc1ccc(-c2ccc(C(=O)O)cc2Cl)c(C)c1
InChIInChI=1S/C15H13ClO2/c1-9-3-5-12(10(2)7-9)13-6-4-11(15(17)18)8-14(13)16/h3-8H,1-2H3,(H,17,18)
InChIKeyQWIKPODSOUZWEU-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-4-(2,4-dimethylphenyl)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

4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
CID 53226634
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid
CID 53226619
3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid
CID 82293341
3-chloro-4-(2-chloro-4-fluoro-5-methylphenyl)benzoic acid
CID 81308236
4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
CID 53226764
4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid
CID 90009122
3-chloro-4-(3,5-dichlorophenyl)benzoic acid
CID 114879100
4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid
CID 53225503
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263
4-(2-chloro-4,5-dimethylphenyl)benzoic acid
CID 115484293

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,4-dimethylphenyl)benzoic acid?
The IUPAC name of 3-chloro-4-(2,4-dimethylphenyl)benzoic acid (CID 81307407) is 3-chloro-4-(2,4-dimethylphenyl)benzoic acid.
What is the SMILES notation for 3-chloro-4-(2,4-dimethylphenyl)benzoic acid?
The canonical SMILES for 3-chloro-4-(2,4-dimethylphenyl)benzoic acid is Cc1ccc(-c2ccc(C(=O)O)cc2Cl)c(C)c1.
What is the InChIKey of 3-chloro-4-(2,4-dimethylphenyl)benzoic acid?
The InChIKey is QWIKPODSOUZWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-9-3-5-12(10(2)7-9)13-6-4-11(15(17)18)8-14(13)16/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-chloro-4-(2,4-dimethylphenyl)benzoic acid?
3-chloro-4-(2,4-dimethylphenyl)benzoic acid has a molecular weight of 260.72 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,4-dimethylphenyl)benzoic acid is sourced from PubChem (CID 81307407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).