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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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).