2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid

C14H11ClO3 — CID 53225323

IUPAC2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2CO)ccc1Cl
InChIInChI=1S/C14H11ClO3/c15-13-6-5-9(7-12(13)14(17)18)11-4-2-1-3-10(11)8-16/h1-7,16H,8H2,(H,17,18)
InChIKeyBCHOMVHSKLZUMW-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.20
Rot. Bonds3

About 2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid

2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid (PubChem CID 53225323) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid
PubChem CID53225323
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2CO)ccc1Cl
InChIInChI=1S/C14H11ClO3/c15-13-6-5-9(7-12(13)14(17)18)11-4-2-1-3-10(11)8-16/h1-7,16H,8H2,(H,17,18)
InChIKeyBCHOMVHSKLZUMW-UHFFFAOYSA-N
XLogP3.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
CID 79592153
2-chloro-5-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405271
4-[2-(3,4-dicarboxyphenyl)phenyl]phthalic acid
CID 19890142
4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid
CID 53225310
benzoic acid;[2-[2-(hydroxymethyl)phenyl]phenyl]methanol
CID 69100469
1,2-dichloro-4-(2-ethylphenyl)benzene
CID 67818201
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
5-[2-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
CID 53222723
5-(2-chlorophenyl)-2-cyanobenzoic acid
CID 174620913
5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid
CID 53222732
4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53229597
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid?
The IUPAC name of 2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid (CID 53225323) is 2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid is O=C(O)c1cc(-c2ccccc2CO)ccc1Cl.
What is the InChIKey of 2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid?
The InChIKey is BCHOMVHSKLZUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c15-13-6-5-9(7-12(13)14(17)18)11-4-2-1-3-10(11)8-16/h1-7,16H,8H2,(H,17,18).
What are the key properties of 2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid?
2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid has a molecular weight of 262.69 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid is sourced from PubChem (CID 53225323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).