4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid

C14H11ClO3 — CID 53225386

IUPAC4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccc(CO)cc1
InChIInChI=1S/C14H11ClO3/c15-11-5-6-12(14(17)18)13(7-11)10-3-1-9(8-16)2-4-10/h1-7,16H,8H2,(H,17,18)
InChIKeyPZQWMMTVTSVJTG-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.20
Rot. Bonds3

About 4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid

4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid (PubChem CID 53225386) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid
PubChem CID53225386
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccc(CO)cc1
InChIInChI=1S/C14H11ClO3/c15-11-5-6-12(14(17)18)13(7-11)10-3-1-9(8-16)2-4-10/h1-7,16H,8H2,(H,17,18)
InChIKeyPZQWMMTVTSVJTG-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

4-chloro-2-phenylbenzoic acid
CID 11424784
4-chloro-2-(4-ethoxyphenyl)benzoic acid
CID 107989630
4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
CID 53228734
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
4-chloro-2-(4-nitrophenyl)benzoic acid
CID 175503510
4-chloro-2-(3,4,5-trichlorophenyl)benzoic acid
CID 134629032
4-chloro-2-(4-cyclobutylphenyl)benzoic acid
CID 107989871
4-chloro-2-(3-hydroxyphenyl)benzoic acid
CID 53224976
4-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211133
4-chloro-2-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228331
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)benzoic acid
CID 114024739

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid?
The IUPAC name of 4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid (CID 53225386) is 4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid.
What is the SMILES notation for 4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid?
The canonical SMILES for 4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid is O=C(O)c1ccc(Cl)cc1-c1ccc(CO)cc1.
What is the InChIKey of 4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid?
The InChIKey is PZQWMMTVTSVJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c15-11-5-6-12(14(17)18)13(7-11)10-3-1-9(8-16)2-4-10/h1-7,16H,8H2,(H,17,18).
What are the key properties of 4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid?
4-chloro-2-[4-(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 4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid is sourced from PubChem (CID 53225386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).