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

C14H15F3O2 — CID 102751652

IUPAC4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESCc1cc(C(F)(F)F)ccc1C1(O)CCC(=O)CC1
InChIInChI=1S/C14H15F3O2/c1-9-8-10(14(15,16)17)2-3-12(9)13(19)6-4-11(18)5-7-13/h2-3,8,19H,4-7H2,1H3
InChIKeyWIXPYJNTHRUFBI-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.34
Rot. Bonds1

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

4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one (PubChem CID 102751652) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one
PubChem CID102751652
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESCc1cc(C(F)(F)F)ccc1C1(O)CCC(=O)CC1
InChIInChI=1S/C14H15F3O2/c1-9-8-10(14(15,16)17)2-3-12(9)13(19)6-4-11(18)5-7-13/h2-3,8,19H,4-7H2,1H3
InChIKeyWIXPYJNTHRUFBI-UHFFFAOYSA-N
XLogP3.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 102755976
3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol
CID 103863134
4-[2-methyl-4-(trifluoromethyl)phenyl]azepan-4-ol
CID 102751913
1-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]piperidin-3-ol
CID 102751806
3-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 102751594
4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 117104002
1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 102751225
8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171963930
4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 102752194
2-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 102751617
2-methoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 106873545
3-[2-methyl-5-(trifluoromethyl)phenyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171963963

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one?
The IUPAC name of 4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one (CID 102751652) is 4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one?
The canonical SMILES for 4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one is Cc1cc(C(F)(F)F)ccc1C1(O)CCC(=O)CC1.
What is the InChIKey of 4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one?
The InChIKey is WIXPYJNTHRUFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c1-9-8-10(14(15,16)17)2-3-12(9)13(19)6-4-11(18)5-7-13/h2-3,8,19H,4-7H2,1H3.
What are the key properties of 4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one?
4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one has a molecular weight of 272.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 102751652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).