1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol

C20H30O — CID 107429613

IUPAC1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(c2ccccc2C2CCC2)C1
InChIInChI=1S/C20H30O/c1-15(2)13-16-7-6-12-20(21,14-16)19-11-4-3-10-18(19)17-8-5-9-17/h3-4,10-11,15-17,21H,5-9,12-14H2,1-2H3
InChIKeyQQBSWYUOTTYHLK-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.38
Rot. Bonds4

About 1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol

1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429613) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429613
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(c2ccccc2C2CCC2)C1
InChIInChI=1S/C20H30O/c1-15(2)13-16-7-6-12-20(21,14-16)19-11-4-3-10-18(19)17-8-5-9-17/h3-4,10-11,15-17,21H,5-9,12-14H2,1-2H3
InChIKeyQQBSWYUOTTYHLK-UHFFFAOYSA-N
XLogP5.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429613) is 1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol is CC(C)CC1CCCC(O)(c2ccccc2C2CCC2)C1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is QQBSWYUOTTYHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-15(2)13-16-7-6-12-20(21,14-16)19-11-4-3-10-18(19)17-8-5-9-17/h3-4,10-11,15-17,21H,5-9,12-14H2,1-2H3.
What are the key properties of 1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).