2-(3,4-dimethylcyclohexyl)-1-phenylethanol

C16H24O — CID 79423892

IUPAC2-(3,4-dimethylcyclohexyl)-1-phenylethanol
SMILESCC1CCC(CC(O)c2ccccc2)CC1C
InChIInChI=1S/C16H24O/c1-12-8-9-14(10-13(12)2)11-16(17)15-6-4-3-5-7-15/h3-7,12-14,16-17H,8-11H2,1-2H3
InChIKeyIDJQPPWCSAAVND-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.18
Rot. Bonds3

About 2-(3,4-dimethylcyclohexyl)-1-phenylethanol

2-(3,4-dimethylcyclohexyl)-1-phenylethanol (PubChem CID 79423892) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)-1-phenylethanol.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)-1-phenylethanol
PubChem CID79423892
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-(3,4-dimethylcyclohexyl)-1-phenylethanol
SMILESCC1CCC(CC(O)c2ccccc2)CC1C
InChIInChI=1S/C16H24O/c1-12-8-9-14(10-13(12)2)11-16(17)15-6-4-3-5-7-15/h3-7,12-14,16-17H,8-11H2,1-2H3
InChIKeyIDJQPPWCSAAVND-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-1-phenylethanol
CID 15629098
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 22770544
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 23381484
1-(2-tert-butylphenyl)-2-cyclopropylethanol
CID 115804027
2-(2-hydroxy-2-phenylethyl)-4-propan-2-ylcyclohexan-1-one
CID 79417162
(E)-3-methyl-5-(2-methylcyclopentyl)-1-phenylpent-3-en-1-ol
CID 101031921
2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol
CID 64746176
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)-1-phenylethanol?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)-1-phenylethanol (CID 79423892) is 2-(3,4-dimethylcyclohexyl)-1-phenylethanol.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)-1-phenylethanol?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)-1-phenylethanol is CC1CCC(CC(O)c2ccccc2)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)-1-phenylethanol?
The InChIKey is IDJQPPWCSAAVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12-8-9-14(10-13(12)2)11-16(17)15-6-4-3-5-7-15/h3-7,12-14,16-17H,8-11H2,1-2H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)-1-phenylethanol?
2-(3,4-dimethylcyclohexyl)-1-phenylethanol has a molecular weight of 232.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)-1-phenylethanol is sourced from PubChem (CID 79423892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).