2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol

C14H17F3O2 — CID 106873665

IUPAC2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCOC1CCCCC1(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3O2/c1-19-12-8-4-5-9-13(12,18)10-6-2-3-7-11(10)14(15,16)17/h2-3,6-7,12,18H,4-5,8-9H2,1H3
InChIKeyCWHRPYVELNGLAQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.48
Rot. Bonds2

About 2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol

2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 106873665) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID106873665
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCOC1CCCCC1(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3O2/c1-19-12-8-4-5-9-13(12,18)10-6-2-3-7-11(10)14(15,16)17/h2-3,6-7,12,18H,4-5,8-9H2,1H3
InChIKeyCWHRPYVELNGLAQ-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 106873696
2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 106873545
2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 113483854
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 106873761
1-isoquinolin-4-yl-2-methoxycyclohexan-1-ol
CID 106873556
cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol
CID 67826676
1-(4-amino-3-pyridinyl)-2-methoxycyclohexan-1-ol
CID 106873633
2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 66467423
1-(furan-3-yl)-2-methoxycyclohexan-1-ol
CID 106873777
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
1-(3-ethylphenyl)-2-methoxycyclohexan-1-ol
CID 106873797
cis-(1S,2S)-2-methyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 21153344

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 106873665) is 2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol is COC1CCCCC1(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is CWHRPYVELNGLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c1-19-12-8-4-5-9-13(12,18)10-6-2-3-7-11(10)14(15,16)17/h2-3,6-7,12,18H,4-5,8-9H2,1H3.
What are the key properties of 2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol?
2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 274.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 106873665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).