2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol

C17H26O — CID 117368880

IUPAC2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1C1CCCC(C)(C)C1
InChIInChI=1S/C17H26O/c1-13(12-18)15-8-4-5-9-16(15)14-7-6-10-17(2,3)11-14/h4-5,8-9,13-14,18H,6-7,10-12H2,1-3H3
InChIKeyQERVZETVSVWBSQ-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.47
Rot. Bonds3

About 2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol

2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol (PubChem CID 117368880) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol
PubChem CID117368880
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1C1CCCC(C)(C)C1
InChIInChI=1S/C17H26O/c1-13(12-18)15-8-4-5-9-16(15)14-7-6-10-17(2,3)11-14/h4-5,8-9,13-14,18H,6-7,10-12H2,1-3H3
InChIKeyQERVZETVSVWBSQ-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol
CID 117368882
2-[2-(4-methylcyclohexyl)phenyl]propan-1-ol
CID 117336931
2-[(1S)-3,3-dimethylcyclohexyl]aniline
CID 125450095
2-[2-(thietan-3-yl)phenyl]propan-1-ol
CID 117298047
3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine
CID 117431737
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
CID 114604111
3-[4-(3,3-dimethylcyclohexyl)phenyl]butanal
CID 117399936
3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine
CID 117455824
1-(2-cyclobutylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105052427
2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol
CID 117372106
1-(2-cyclobutylphenyl)butane-1,2-diol
CID 103454593
1-(3-chlorobutan-2-yl)-2-cyclobutylbenzene
CID 114605798

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol?
The IUPAC name of 2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol (CID 117368880) is 2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol?
The canonical SMILES for 2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol is CC(CO)c1ccccc1C1CCCC(C)(C)C1.
What is the InChIKey of 2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol?
The InChIKey is QERVZETVSVWBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-13(12-18)15-8-4-5-9-16(15)14-7-6-10-17(2,3)11-14/h4-5,8-9,13-14,18H,6-7,10-12H2,1-3H3.
What are the key properties of 2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol?
2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol is sourced from PubChem (CID 117368880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).