4-(4-chlorophenyl)benzoic acid

C13H9ClO2 — CID 616002

IUPAC4-(4-chlorophenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H9ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
InChIKeyFIMRRWLTRBEAOM-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.71
Rot. Bonds2

About 4-(4-chlorophenyl)benzoic acid

4-(4-chlorophenyl)benzoic acid (PubChem CID 616002) has the molecular formula C13H9ClO2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-(4-chlorophenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)benzoic acid
PubChem CID616002
Molecular FormulaC13H9ClO2
Molecular Weight232.67 g/mol
Exact Mass232.03
IUPAC Name4-(4-chlorophenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H9ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
InChIKeyFIMRRWLTRBEAOM-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-chlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)benzoic acid?
The IUPAC name of 4-(4-chlorophenyl)benzoic acid (CID 616002) is 4-(4-chlorophenyl)benzoic acid.
What is the SMILES notation for 4-(4-chlorophenyl)benzoic acid?
The canonical SMILES for 4-(4-chlorophenyl)benzoic acid is O=C(O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)benzoic acid?
The InChIKey is FIMRRWLTRBEAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16).
What are the key properties of 4-(4-chlorophenyl)benzoic acid?
4-(4-chlorophenyl)benzoic acid has a molecular weight of 232.67 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)benzoic acid is sourced from PubChem (CID 616002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).