1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol

C15H19F3O2 — CID 103452414

IUPAC1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C(O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3O2/c1-10-5-7-14(20,8-6-10)13(19)11-3-2-4-12(9-11)15(16,17)18/h2-4,9-10,13,19-20H,5-8H2,1H3
InChIKeySRLBZXZKMQWDCK-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.68
Rot. Bonds2

About 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol

1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol (PubChem CID 103452414) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol
PubChem CID103452414
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C(O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3O2/c1-10-5-7-14(20,8-6-10)13(19)11-3-2-4-12(9-11)15(16,17)18/h2-4,9-10,13,19-20H,5-8H2,1H3
InChIKeySRLBZXZKMQWDCK-UHFFFAOYSA-N
XLogP3.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol
CID 103452078
1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 142686187
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carbonitrile
CID 79136542
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 116754328
(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107188498
1,4-dioxaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)phenyl]methanol
CID 19436901
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067
(3S)-7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]spiro[3.5]nonan-3-amine
CID 156602633
(1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 99809966
2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 45253532
(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 129386467

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol (CID 103452414) is 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(C(O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is SRLBZXZKMQWDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-10-5-7-14(20,8-6-10)13(19)11-3-2-4-12(9-11)15(16,17)18/h2-4,9-10,13,19-20H,5-8H2,1H3.
What are the key properties of 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol?
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 288.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 103452414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).