2-(4-chlorophenyl)-4-hydroxyhexanoic acid

C12H15ClO3 — CID 79441149

IUPAC2-(4-chlorophenyl)-4-hydroxyhexanoic acid
SMILESCCC(O)CC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO3/c1-2-10(14)7-11(12(15)16)8-3-5-9(13)6-4-8/h3-6,10-11,14H,2,7H2,1H3,(H,15,16)
InChIKeyONNADYDKKFZSFB-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.67
Rot. Bonds5

About 2-(4-chlorophenyl)-4-hydroxyhexanoic acid

2-(4-chlorophenyl)-4-hydroxyhexanoic acid (PubChem CID 79441149) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-hydroxyhexanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-hydroxyhexanoic acid
PubChem CID79441149
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name2-(4-chlorophenyl)-4-hydroxyhexanoic acid
SMILESCCC(O)CC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO3/c1-2-10(14)7-11(12(15)16)8-3-5-9(13)6-4-8/h3-6,10-11,14H,2,7H2,1H3,(H,15,16)
InChIKeyONNADYDKKFZSFB-UHFFFAOYSA-N
XLogP2.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-4-hydroxyhexanoic 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-(4-chlorophenyl)-4-methylheptanoic acid
CID 79434395
(2S)-2-(4-chlorophenyl)butanamide
CID 174406593
2-(4-chlorophenyl)-4-fluorobutanoic acid
CID 80694462
(2S)-2,4-bis(4-chlorophenyl)butanoic acid
CID 129322566
2-[(4-chlorophenyl)-hydroxymethyl]butanoic acid
CID 62396823
2-(4-chlorophenyl)-4-ethylsulfonylbutanoic acid
CID 79434809
2-(4-chlorophenyl)-4-methylidenehexanoic acid
CID 79440388
2-(4-chlorophenyl)-4-ethoxybutanoic acid
CID 79440541
2-[(1S)-1-(4-chlorophenyl)propyl]propanedioic acid
CID 902051
2-[1-(4-chlorophenyl)propyl]propanedioic acid
CID 3442135
(2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid
CID 10538158
(2S)-2-(4-chlorophenyl)pent-4-enoic acid
CID 11447156

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-hydroxyhexanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-4-hydroxyhexanoic acid (CID 79441149) is 2-(4-chlorophenyl)-4-hydroxyhexanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-4-hydroxyhexanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4-hydroxyhexanoic acid is CCC(O)CC(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-hydroxyhexanoic acid?
The InChIKey is ONNADYDKKFZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-2-10(14)7-11(12(15)16)8-3-5-9(13)6-4-8/h3-6,10-11,14H,2,7H2,1H3,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-4-hydroxyhexanoic acid?
2-(4-chlorophenyl)-4-hydroxyhexanoic acid has a molecular weight of 242.70 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-hydroxyhexanoic acid is sourced from PubChem (CID 79441149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).