4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid

C14H10Cl2O2 — CID 53226634

IUPAC4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
SMILESCc1ccc(-c2cc(C(=O)O)ccc2Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2O2/c1-8-2-4-10(13(16)6-8)11-7-9(14(17)18)3-5-12(11)15/h2-7H,1H3,(H,17,18)
InChIKeyCRFGJRKJNSZPSS-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.67
Rot. Bonds2

About 4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid

4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid (PubChem CID 53226634) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
PubChem CID53226634
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
SMILESCc1ccc(-c2cc(C(=O)O)ccc2Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2O2/c1-8-2-4-10(13(16)6-8)11-7-9(14(17)18)3-5-12(11)15/h2-7H,1H3,(H,17,18)
InChIKeyCRFGJRKJNSZPSS-UHFFFAOYSA-N
XLogP4.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid
CID 53226619
3-chloro-4-(2,4-dimethylphenyl)benzoic acid
CID 81307407
4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid
CID 53225503
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
3-chloro-4-(2-chloro-4-fluoro-5-methylphenyl)benzoic acid
CID 81308236
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid
CID 107989851
3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid
CID 82293341
4-(2-chloro-5-methoxycarbonylphenyl)-3-methoxybenzoic acid
CID 53228447
3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53223423
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid?
The IUPAC name of 4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid (CID 53226634) is 4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid?
The canonical SMILES for 4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid is Cc1ccc(-c2cc(C(=O)O)ccc2Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid?
The InChIKey is CRFGJRKJNSZPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c1-8-2-4-10(13(16)6-8)11-7-9(14(17)18)3-5-12(11)15/h2-7H,1H3,(H,17,18).
What are the key properties of 4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid?
4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid has a molecular weight of 281.14 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid is sourced from PubChem (CID 53226634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).