3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid

C15H19FO3 — CID 82049889

IUPAC3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)(c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C15H19FO3/c16-13-8-6-12(7-9-13)15(19,10-14(17)18)11-4-2-1-3-5-11/h6-9,11,19H,1-5,10H2,(H,17,18)
InChIKeyPWLXGZLSNLIYOZ-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.07
Rot. Bonds4

About 3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid

3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid (PubChem CID 82049889) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid
PubChem CID82049889
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)(c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C15H19FO3/c16-13-8-6-12(7-9-13)15(19,10-14(17)18)11-4-2-1-3-5-11/h6-9,11,19H,1-5,10H2,(H,17,18)
InChIKeyPWLXGZLSNLIYOZ-UHFFFAOYSA-N
XLogP3.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic 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

Benzilic acid
CID 6463
(+-)-Cyclohexylphenylglycolic acid
CID 97700
rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
CID 68776
Fencibutirol
CID 71170
1-Hydroxy-alpha-phenylcyclopentylacetic acid
CID 91332
3-(4-Fluorophenyl)-2-phenylpropanoic acid
CID 3151587
Mls002638215
CID 223673
4-Hydroxy-3,4-diphenyl-cyclopent-2-enone
CID 227383
alpha-Cyclopentylmandelic acid
CID 98283
3-Hydroxy-3-phenylpropanoic acid
CID 92959
Cyclohexylphenylacetic acid
CID 97942
4,4,4-Trifluoro-3-hydroxy-3-phenylbutanoic acid
CID 3879446

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid?
The IUPAC name of 3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid (CID 82049889) is 3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for 3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for 3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid is O=C(O)CC(O)(c1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid?
The InChIKey is PWLXGZLSNLIYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c16-13-8-6-12(7-9-13)15(19,10-14(17)18)11-4-2-1-3-5-11/h6-9,11,19H,1-5,10H2,(H,17,18).
What are the key properties of 3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid?
3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid has a molecular weight of 266.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 82049889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).