1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone

C15H17F3O3 — CID 134257812

IUPAC1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
SMILESCC(=O)C1(O)CCC(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H17F3O3/c1-10(19)14(20)8-6-12(7-9-14)11-2-4-13(5-3-11)21-15(16,17)18/h2-5,12,20H,6-9H2,1H3
InChIKeyRWXTVAOPUXBGLN-UHFFFAOYSA-N
MW302.29 g/mol
LogP3.56
Rot. Bonds3

About 1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone

1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone (PubChem CID 134257812) has the molecular formula C15H17F3O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
PubChem CID134257812
Molecular FormulaC15H17F3O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
SMILESCC(=O)C1(O)CCC(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H17F3O3/c1-10(19)14(20)8-6-12(7-9-14)11-2-4-13(5-3-11)21-15(16,17)18/h2-5,12,20H,6-9H2,1H3
InChIKeyRWXTVAOPUXBGLN-UHFFFAOYSA-N
XLogP3.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
CID 159374732
1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 22908550
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
(3-hydroxy-3-methylcyclobutyl)-[(6S)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710347
9-pentyl-3-[4-(trifluoromethoxy)phenyl]spiro[5.5]undecane
CID 15201511
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one
CID 67758972
(E)-4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]but-2-enoic acid
CID 67844168
1-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]-4-(trifluoromethoxy)benzene
CID 162570074
1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 59734847
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
CID 134257814
(Z)-3-cyclopropyl-2-(1H-imidazol-5-yl)-1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]but-2-en-1-one;ethane
CID 142308079

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone?
The IUPAC name of 1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone (CID 134257812) is 1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone?
The canonical SMILES for 1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone is CC(=O)C1(O)CCC(c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone?
The InChIKey is RWXTVAOPUXBGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O3/c1-10(19)14(20)8-6-12(7-9-14)11-2-4-13(5-3-11)21-15(16,17)18/h2-5,12,20H,6-9H2,1H3.
What are the key properties of 1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone?
1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone has a molecular weight of 302.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone is sourced from PubChem (CID 134257812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).