2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol

C16H21F3O2 — CID 116756263

IUPAC2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCOC(C1CCCCC1)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H21F3O2/c1-21-15(11-7-3-2-4-8-11)14(20)12-9-5-6-10-13(12)16(17,18)19/h5-6,9-11,14-15,20H,2-4,7-8H2,1H3
InChIKeyPSPRJZFLQPHOFP-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.33
Rot. Bonds4

About 2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol

2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 116756263) has the molecular formula C16H21F3O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID116756263
Molecular FormulaC16H21F3O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCOC(C1CCCCC1)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H21F3O2/c1-21-15(11-7-3-2-4-8-11)14(20)12-9-5-6-10-13(12)16(17,18)19/h5-6,9-11,14-15,20H,2-4,7-8H2,1H3
InChIKeyPSPRJZFLQPHOFP-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707932
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
2-cyclohexyl-2-methoxy-1-naphthalen-1-ylethanol
CID 116756473
2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol
CID 116756467
(R)-cyclohexyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206677
2-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methoxyethanol
CID 116756379
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol
CID 107288626
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
2-cyclohexyl-2-methoxy-1-(4-methoxyphenyl)ethanol
CID 116756367
2-(cyclohexylamino)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 60998379
2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 115795995

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol (CID 116756263) is 2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol is COC(C1CCCCC1)C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is PSPRJZFLQPHOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O2/c1-21-15(11-7-3-2-4-8-11)14(20)12-9-5-6-10-13(12)16(17,18)19/h5-6,9-11,14-15,20H,2-4,7-8H2,1H3.
What are the key properties of 2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol?
2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 302.34 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 116756263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).