1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

C20H30O — CID 114601039

IUPAC1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(c2ccccc2C2CCC2)C1
InChIInChI=1S/C20H30O/c1-14(2)18-12-11-15(3)13-20(18,21)19-10-5-4-9-17(19)16-7-6-8-16/h4-5,9-10,14-16,18,21H,6-8,11-13H2,1-3H3
InChIKeyJRAMUPVKFPAQQQ-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.23
Rot. Bonds3

About 1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 114601039) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID114601039
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(c2ccccc2C2CCC2)C1
InChIInChI=1S/C20H30O/c1-14(2)18-12-11-15(3)13-20(18,21)19-10-5-4-9-17(19)16-7-6-8-16/h4-5,9-10,14-16,18,21H,6-8,11-13H2,1-3H3
InChIKeyJRAMUPVKFPAQQQ-UHFFFAOYSA-N
XLogP5.23
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 ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409046
(1S,2S,5R)-1-[6-[(1S,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]-2-pyridinyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101183743
1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429613
CID 11151972
CID 11151972
1-[2-(4-methylcyclohexyl)phenyl]cyclopropan-1-ol
CID 117332986
1-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409211
(1R,2R,5S)-1-(6-bromo-2-pyridinyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 100993924
5-methyl-1-(2-methylpyrazol-3-yl)-2-propan-2-ylcyclohexan-1-ol
CID 63960927
5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine
CID 60795200
4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol
CID 114601118
3-(2-cyclobutylphenyl)-5,5-dimethylthian-3-ol
CID 114601472
(1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 10925802

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 114601039) is 1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(c2ccccc2C2CCC2)C1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is JRAMUPVKFPAQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-14(2)18-12-11-15(3)13-20(18,21)19-10-5-4-9-17(19)16-7-6-8-16/h4-5,9-10,14-16,18,21H,6-8,11-13H2,1-3H3.
What are the key properties of 1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 114601039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).