4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid

C16H15ClO3 — CID 134304846

IUPAC4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid
SMILESO=C(O)c1ccc(C(O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO3/c17-14-8-1-11(2-9-14)3-10-15(18)12-4-6-13(7-5-12)16(19)20/h1-2,4-9,15,18H,3,10H2,(H,19,20)
InChIKeyAAEIZIYFDXVNHS-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.70
Rot. Bonds5

About 4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid

4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid (PubChem CID 134304846) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid
PubChem CID134304846
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid
SMILESO=C(O)c1ccc(C(O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO3/c17-14-8-1-11(2-9-14)3-10-15(18)12-4-6-13(7-5-12)16(19)20/h1-2,4-9,15,18H,3,10H2,(H,19,20)
InChIKeyAAEIZIYFDXVNHS-UHFFFAOYSA-N
XLogP3.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[3-(4-chlorophenyl)-1-hydroxypropyl]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

1,3-bis(4-chlorophenyl)propane-1,3-diol;bis(4-ethylbenzoic acid)
CID 66728211
2,6-dichloro-4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid
CID 59346775
4-(1-hydroxy-4-phenylbutyl)benzoic acid
CID 14816598
(2S)-2,4-bis(4-chlorophenyl)butanoic acid
CID 129322566
4-chlorobenzoic acid;molecular hydrogen
CID 175545154
4-chloro(13C)benzoic acid
CID 66995527
4-[2-(4-chlorophenyl)-2-cyanoethyl]benzoic acid
CID 82139671
cesium;4-chlorobenzoic acid;fluoride
CID 175696882
3-[(3S)-3-hydroxy-3-phenylpropyl]benzoic acid
CID 125468319
4-[[(4-chlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458865
4-[(4-chlorophenyl)methylsulfinylmethyl]benzoic acid
CID 114790855
(1R)-1,3-diphenylpropan-1-ol
CID 11845542

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid?
The IUPAC name of 4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid (CID 134304846) is 4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid is O=C(O)c1ccc(C(O)CCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid?
The InChIKey is AAEIZIYFDXVNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c17-14-8-1-11(2-9-14)3-10-15(18)12-4-6-13(7-5-12)16(19)20/h1-2,4-9,15,18H,3,10H2,(H,19,20).
What are the key properties of 4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid?
4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid has a molecular weight of 290.75 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1-hydroxypropyl]benzoic acid is sourced from PubChem (CID 134304846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).