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

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Related Compounds

3-cyclopropyl-3-hydroxy-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 112507671
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
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3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
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CID 150762531
1-cyclopropyl-1-(4-fluorophenyl)-2-methylsulfonylethanol
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CID 82114809
3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid
CID 106490917
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid
CID 71390062
3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid
CID 52983755
1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 82931291
2-cyclohexyl-1-(4-fluorophenyl)propan-2-ol
CID 114794899

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).