2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol

C15H19F3O2 — CID 106873545

IUPAC2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCOC1CCCCC1(O)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C15H19F3O2/c1-10-9-11(15(16,17)18)6-7-12(10)14(19)8-4-3-5-13(14)20-2/h6-7,9,13,19H,3-5,8H2,1-2H3
InChIKeyWSGLOYFAZIBLIW-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.79
Rot. Bonds2

About 2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol

2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 106873545) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID106873545
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCOC1CCCCC1(O)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C15H19F3O2/c1-10-9-11(15(16,17)18)6-7-12(10)14(19)8-4-3-5-13(14)20-2/h6-7,9,13,19H,3-5,8H2,1-2H3
InChIKeyWSGLOYFAZIBLIW-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 106873545) is 2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol is COC1CCCCC1(O)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of 2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is WSGLOYFAZIBLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-10-9-11(15(16,17)18)6-7-12(10)14(19)8-4-3-5-13(14)20-2/h6-7,9,13,19H,3-5,8H2,1-2H3.
What are the key properties of 2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 288.31 g/mol, XLogP of 3.79, 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-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 106873545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).