2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol

C20H30O — CID 114606456

IUPAC2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2cccc(C3CCC3)c2)C(O)C1
InChIInChI=1S/C20H30O/c1-14-10-11-18(19(21)12-14)20(2,3)17-9-5-8-16(13-17)15-6-4-7-15/h5,8-9,13-15,18-19,21H,4,6-7,10-12H2,1-3H3
InChIKeyMJJIEYKSSOYBLE-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.03
Rot. Bonds3

About 2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol

2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 114606456) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID114606456
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2cccc(C3CCC3)c2)C(O)C1
InChIInChI=1S/C20H30O/c1-14-10-11-18(19(21)12-14)20(2,3)17-9-5-8-16(13-17)15-6-4-7-15/h5,8-9,13-15,18-19,21H,4,6-7,10-12H2,1-3H3
InChIKeyMJJIEYKSSOYBLE-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol 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

(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 70236087
carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 86756445
1-(3-cyclobutylphenyl)-1-cyclopropylethanol
CID 114601106
2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 64767577
1-(3-cyclobutylphenyl)-1-(2-methylphenyl)ethanol
CID 114601070
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol
CID 114601094
2-(3-cyclobutylphenyl)-2-methylpropan-1-amine
CID 114607219
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
1-(3-cyclobutylphenyl)-1-(4-methylphenyl)ethanol
CID 114601068

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol (CID 114606456) is 2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol is CC1CCC(C(C)(C)c2cccc(C3CCC3)c2)C(O)C1.
What is the InChIKey of 2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is MJJIEYKSSOYBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-14-10-11-18(19(21)12-14)20(2,3)17-9-5-8-16(13-17)15-6-4-7-15/h5,8-9,13-15,18-19,21H,4,6-7,10-12H2,1-3H3.
What are the key properties of 2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 114606456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).