3-(2-hydroxyphenyl)benzoic acid;hydrochloride

C13H11ClO3 — CID 174448662

IUPAC3-(2-hydroxyphenyl)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(-c2ccccc2O)c1
InChIInChI=1S/C13H10O3.ClH/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16;/h1-8,14H,(H,15,16);1H
InChIKeyRSNVPVOWCUTCQL-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.18
Rot. Bonds2

About 3-(2-hydroxyphenyl)benzoic acid;hydrochloride

3-(2-hydroxyphenyl)benzoic acid;hydrochloride (PubChem CID 174448662) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)benzoic acid;hydrochloride.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)benzoic acid;hydrochloride
PubChem CID174448662
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name3-(2-hydroxyphenyl)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(-c2ccccc2O)c1
InChIInChI=1S/C13H10O3.ClH/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16;/h1-8,14H,(H,15,16);1H
InChIKeyRSNVPVOWCUTCQL-UHFFFAOYSA-N
XLogP3.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-hydroxyphenyl)benzoic acid;hydrochloride 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

3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide
CID 57483789
3-(2-methoxyphenyl)benzoic acid
CID 2759547
3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227053
3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid
CID 171115617
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
4-(3-chlorophenyl)-3-hydroxybenzoic acid
CID 53225819
3-(3-sulfanylnaphthalen-2-yl)benzoic acid
CID 69007314
oxalic acid;2-phenylphenol
CID 162319962
5-(3-carboxyphenyl)-2-hydroxybenzoic acid
CID 102139788
3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid
CID 136915987
3-(4-carboxyphenyl)benzoic acid
CID 11550488

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)benzoic acid;hydrochloride?
The IUPAC name of 3-(2-hydroxyphenyl)benzoic acid;hydrochloride (CID 174448662) is 3-(2-hydroxyphenyl)benzoic acid;hydrochloride.
What is the SMILES notation for 3-(2-hydroxyphenyl)benzoic acid;hydrochloride?
The canonical SMILES for 3-(2-hydroxyphenyl)benzoic acid;hydrochloride is Cl.O=C(O)c1cccc(-c2ccccc2O)c1.
What is the InChIKey of 3-(2-hydroxyphenyl)benzoic acid;hydrochloride?
The InChIKey is RSNVPVOWCUTCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3.ClH/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16;/h1-8,14H,(H,15,16);1H.
What are the key properties of 3-(2-hydroxyphenyl)benzoic acid;hydrochloride?
3-(2-hydroxyphenyl)benzoic acid;hydrochloride has a molecular weight of 250.68 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)benzoic acid;hydrochloride is sourced from PubChem (CID 174448662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).