3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol

C15H19F3O2 — CID 106874015

IUPAC3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
SMILESCOC1CCCC(O)(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H19F3O2/c1-20-13-6-3-7-14(19,10-13)9-11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,13,19H,3,6-7,9-10H2,1H3
InChIKeyYGDYGGDPJSKTFG-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.57
Rot. Bonds3

About 3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol

3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol (PubChem CID 106874015) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
PubChem CID106874015
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
SMILESCOC1CCCC(O)(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H19F3O2/c1-20-13-6-3-7-14(19,10-13)9-11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,13,19H,3,6-7,9-10H2,1H3
InChIKeyYGDYGGDPJSKTFG-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154101
1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106874139
1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873859
3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol
CID 106823679
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629
tert-butyl 3-hydroxy-3-[[3-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171963980
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65149544
1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117297832
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
1-[(5-bromo-3-pyridinyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873956
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carbonitrile
CID 65378094
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723191

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol (CID 106874015) is 3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol is COC1CCCC(O)(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The InChIKey is YGDYGGDPJSKTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-20-13-6-3-7-14(19,10-13)9-11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,13,19H,3,6-7,9-10H2,1H3.
What are the key properties of 3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol has a molecular weight of 288.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106874015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).