2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid

C14H17ClO3 — CID 3017090

IUPAC2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(C2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H17ClO3/c15-12-8-10(13(16)14(17)18)6-7-11(12)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2,(H,17,18)
InChIKeyGKPSJINFCPORHW-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.51
Rot. Bonds3

About 2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid

2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid (PubChem CID 3017090) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid
PubChem CID3017090
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(C2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H17ClO3/c15-12-8-10(13(16)14(17)18)6-7-11(12)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2,(H,17,18)
InChIKeyGKPSJINFCPORHW-UHFFFAOYSA-N
XLogP3.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic 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

4-Chloromandelic acid
CID 10299
2-Chloromandelic acid
CID 97720
2,4-Dichloromandelic acid
CID 24198
2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid
CID 56557
(-)-2-Chloromandelic acid
CID 2733641
(R)-2-(3-Chlorophenyl)-2-hydroxyacetic acid
CID 2733127
3-Chloromandelic acid
CID 85981
(S)-2-(3-Chlorophenyl)-2-hydroxyacetic acid
CID 5324675
(S)-2-Chloromandelic acid
CID 6922874
2,2'-Dichlorobenzilic acid
CID 329060
lithium 4-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-4-hydroxybutanoate
CID 25178372
lithium 4-[4-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-4-hydroxybutanoate
CID 25180872

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid (CID 3017090) is 2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(C2CCCCC2)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid?
The InChIKey is GKPSJINFCPORHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c15-12-8-10(13(16)14(17)18)6-7-11(12)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2,(H,17,18).
What are the key properties of 2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid?
2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid has a molecular weight of 268.74 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 3017090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).