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

C14H17F3O — CID 62789048

IUPAC2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCC1CCCCC1(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3O/c1-10-4-2-3-9-13(10,18)11-5-7-12(8-6-11)14(15,16)17/h5-8,10,18H,2-4,9H2,1H3
InChIKeyOGYILLXHSQHHLG-UHFFFAOYSA-N
MW258.28 g/mol
LogP4.10
Rot. Bonds1

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

2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 62789048) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID62789048
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCC1CCCCC1(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3O/c1-10-4-2-3-9-13(10,18)11-5-7-12(8-6-11)14(15,16)17/h5-8,10,18H,2-4,9H2,1H3
InChIKeyOGYILLXHSQHHLG-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 62789048) is 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol is CC1CCCCC1(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is OGYILLXHSQHHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O/c1-10-4-2-3-9-13(10,18)11-5-7-12(8-6-11)14(15,16)17/h5-8,10,18H,2-4,9H2,1H3.
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 258.28 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 62789048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).