1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol

C15H19F3O2 — CID 114794872

IUPAC1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESCC(O)(c1ccccc1OC(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H19F3O2/c1-14(19,11-7-3-2-4-8-11)12-9-5-6-10-13(12)20-15(16,17)18/h5-6,9-11,19H,2-4,7-8H2,1H3
InChIKeyWJEAPYVCJKZYCK-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.37
Rot. Bonds3

About 1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol

1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol (PubChem CID 114794872) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol
PubChem CID114794872
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESCC(O)(c1ccccc1OC(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H19F3O2/c1-14(19,11-7-3-2-4-8-11)12-9-5-6-10-13(12)20-15(16,17)18/h5-6,9-11,19H,2-4,7-8H2,1H3
InChIKeyWJEAPYVCJKZYCK-UHFFFAOYSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-(2-propoxyphenyl)ethanol
CID 114794929
1-cyclohexyl-1-(2-methylphenyl)ethanol
CID 43810036
1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115002546
3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302790
1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787433
cyclohexyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62790469
2-(1-cyclopropyl-1-hydroxyethyl)phenol
CID 115015171
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
4-[2-(trifluoromethoxy)phenyl]heptan-4-ol
CID 114866167
1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787438
2-(1-cyclopropyl-1-hydroxyethyl)-6-methoxyphenol
CID 118899137
1-cycloheptyl-1-(2-methoxyphenyl)ethanamine
CID 82932355

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol (CID 114794872) is 1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol is CC(O)(c1ccccc1OC(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is WJEAPYVCJKZYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-14(19,11-7-3-2-4-8-11)12-9-5-6-10-13(12)20-15(16,17)18/h5-6,9-11,19H,2-4,7-8H2,1H3.
What are the key properties of 1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol?
1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 288.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 114794872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).