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

C17H21F3O — CID 102751594

IUPAC3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCc1cc(C(F)(F)F)ccc1C1(O)CCCC(C2CC2)C1
InChIInChI=1S/C17H21F3O/c1-11-9-14(17(18,19)20)6-7-15(11)16(21)8-2-3-13(10-16)12-4-5-12/h6-7,9,12-13,21H,2-5,8,10H2,1H3
InChIKeyQAHOHWHBMAULEK-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.80
Rot. Bonds2

About 3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol

3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 102751594) has the molecular formula C17H21F3O and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID102751594
Molecular FormulaC17H21F3O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCc1cc(C(F)(F)F)ccc1C1(O)CCCC(C2CC2)C1
InChIInChI=1S/C17H21F3O/c1-11-9-14(17(18,19)20)6-7-15(11)16(21)8-2-3-13(10-16)12-4-5-12/h6-7,9,12-13,21H,2-5,8,10H2,1H3
InChIKeyQAHOHWHBMAULEK-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 102751617
4-[2-methyl-4-(trifluoromethyl)phenyl]azepan-4-ol
CID 102751913
8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171963930
1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol
CID 102751806
3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol
CID 103863134
4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 102751652
1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 102751225
2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 106873545
1-(2-chlorophenyl)-3-cyclopropylcyclohexan-1-ol
CID 64625455
3-[2-methyl-5-(trifluoromethyl)phenyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171963963
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 64593504
9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963965

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 102751594) is 3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol is Cc1cc(C(F)(F)F)ccc1C1(O)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is QAHOHWHBMAULEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3O/c1-11-9-14(17(18,19)20)6-7-15(11)16(21)8-2-3-13(10-16)12-4-5-12/h6-7,9,12-13,21H,2-5,8,10H2,1H3.
What are the key properties of 3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol?
3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 298.35 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 102751594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).