4-benzyl-2-chlorobenzoic acid

C14H11ClO2 — CID 150746352

IUPAC4-benzyl-2-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cc2ccccc2)cc1Cl
InChIInChI=1S/C14H11ClO2/c15-13-9-11(6-7-12(13)14(16)17)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
InChIKeyJUXULYQTYYKHNG-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.63
Rot. Bonds3

About 4-benzyl-2-chlorobenzoic acid

4-benzyl-2-chlorobenzoic acid (PubChem CID 150746352) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 4-benzyl-2-chlorobenzoic acid.

Molecular Properties

Compound Name4-benzyl-2-chlorobenzoic acid
PubChem CID150746352
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name4-benzyl-2-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cc2ccccc2)cc1Cl
InChIInChI=1S/C14H11ClO2/c15-13-9-11(6-7-12(13)14(16)17)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
InChIKeyJUXULYQTYYKHNG-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 4-benzyl-2-chlorobenzoic 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-[(4-carboxy-3-chlorophenyl)methyl]-2-chlorobenzoic acid
CID 19980721
2-amino-5-benzylbenzoic acid
CID 23538086
3-benzylbenzene-1,2,4-tricarboxylic acid
CID 175791914
zinc bis(4-benzyl-2-carboxyphenolate)
CID 70522720
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
2-chloro-4-phenylbenzoic acid
CID 21487426
1-(2,4-dibenzylphenyl)ethanone
CID 70182248
(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
3-[(4-chlorophenyl)methyl]benzoic acid
CID 116927110
2-chloro-4-[(cyclopropylamino)methyl]benzoic acid
CID 117219988
(4-benzoyl-3-chlorophenyl)methanesulfinic acid
CID 174403864
2-chloro-4-(2,6,10-trimethylundecyl)benzoic acid
CID 21297987

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-chlorobenzoic acid?
The IUPAC name of 4-benzyl-2-chlorobenzoic acid (CID 150746352) is 4-benzyl-2-chlorobenzoic acid.
What is the SMILES notation for 4-benzyl-2-chlorobenzoic acid?
The canonical SMILES for 4-benzyl-2-chlorobenzoic acid is O=C(O)c1ccc(Cc2ccccc2)cc1Cl.
What is the InChIKey of 4-benzyl-2-chlorobenzoic acid?
The InChIKey is JUXULYQTYYKHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c15-13-9-11(6-7-12(13)14(16)17)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17).
What are the key properties of 4-benzyl-2-chlorobenzoic acid?
4-benzyl-2-chlorobenzoic 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 4-benzyl-2-chlorobenzoic acid is sourced from PubChem (CID 150746352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).