3-[(4-chlorophenyl)methyl]benzoic acid

C14H11ClO2 — CID 116927110

IUPAC3-[(4-chlorophenyl)methyl]benzoic acid
SMILESO=C(O)c1cccc(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H11ClO2/c15-13-6-4-10(5-7-13)8-11-2-1-3-12(9-11)14(16)17/h1-7,9H,8H2,(H,16,17)
InChIKeyKAOXCUMJBRYCSK-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.63
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]benzoic acid

3-[(4-chlorophenyl)methyl]benzoic acid (PubChem CID 116927110) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]benzoic acid
PubChem CID116927110
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name3-[(4-chlorophenyl)methyl]benzoic acid
SMILESO=C(O)c1cccc(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H11ClO2/c15-13-6-4-10(5-7-13)8-11-2-1-3-12(9-11)14(16)17/h1-7,9H,8H2,(H,16,17)
InChIKeyKAOXCUMJBRYCSK-UHFFFAOYSA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(4-chlorophenyl)methyl]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-[(3-chloro-4-fluorophenyl)methyl]benzoic acid
CID 116927199
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
3-[(2-fluorophenyl)methyl]benzoic acid
CID 86242879
2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid
CID 20571883
3-(4-chlorophenyl)benzoic acid
CID 2757419
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500
3-(1H-indol-5-ylmethyl)benzoic acid
CID 53345393
3-[2-(4-chlorophenyl)ethylamino]benzoic acid
CID 82538719
3-benzylbenzamide;hydrochloride
CID 159409318
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
3-[[4-chloro-2-(4-methylpiperazin-1-yl)phenyl]methyl]benzoic acid
CID 70423359

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]benzoic acid?
The IUPAC name of 3-[(4-chlorophenyl)methyl]benzoic acid (CID 116927110) is 3-[(4-chlorophenyl)methyl]benzoic acid.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]benzoic acid?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]benzoic acid is O=C(O)c1cccc(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]benzoic acid?
The InChIKey is KAOXCUMJBRYCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c15-13-6-4-10(5-7-13)8-11-2-1-3-12(9-11)14(16)17/h1-7,9H,8H2,(H,16,17).
What are the key properties of 3-[(4-chlorophenyl)methyl]benzoic acid?
3-[(4-chlorophenyl)methyl]benzoic acid has a molecular weight of 246.69 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]benzoic acid is sourced from PubChem (CID 116927110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).