2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid

C14H11ClO3 — CID 53219128

IUPAC2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid
SMILESCc1cc(-c2ccc(Cl)c(C(=O)O)c2)ccc1O
InChIInChI=1S/C14H11ClO3/c1-8-6-9(3-5-13(8)16)10-2-4-12(15)11(7-10)14(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeyHHQNQUDNHGKXRV-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.72
Rot. Bonds2

About 2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid

2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid (PubChem CID 53219128) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid
PubChem CID53219128
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid
SMILESCc1cc(-c2ccc(Cl)c(C(=O)O)c2)ccc1O
InChIInChI=1S/C14H11ClO3/c1-8-6-9(3-5-13(8)16)10-2-4-12(15)11(7-10)14(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeyHHQNQUDNHGKXRV-UHFFFAOYSA-N
XLogP3.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-5-(4-hydroxy-3-methylphenyl)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

2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543
2-chloro-5-(2,4,6-trimethylphenyl)benzoic acid
CID 54912541
4-(4-hydroxy-3-methylphenyl)benzoic acid
CID 15389812
2-chloro-5-(3-cyano-4-hydroxyphenyl)benzoic acid
CID 53220181
5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223518
2-chloro-4-(4-chloro-3-methylphenyl)phenol
CID 53221359
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid
CID 114103572
4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid
CID 53228500
2-chloro-5-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405271
2-amino-5-(4-amino-3-methylphenyl)benzoic acid
CID 143962907
2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid
CID 106882164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid?
The IUPAC name of 2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid (CID 53219128) is 2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid?
The canonical SMILES for 2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid is Cc1cc(-c2ccc(Cl)c(C(=O)O)c2)ccc1O.
What is the InChIKey of 2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid?
The InChIKey is HHQNQUDNHGKXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-8-6-9(3-5-13(8)16)10-2-4-12(15)11(7-10)14(17)18/h2-7,16H,1H3,(H,17,18).
What are the key properties of 2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid?
2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid has a molecular weight of 262.69 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid is sourced from PubChem (CID 53219128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).