2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol

C17H26O — CID 117368882

IUPAC2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(C2CCCC(C)(C)C2)cc1
InChIInChI=1S/C17H26O/c1-13(12-18)14-6-8-15(9-7-14)16-5-4-10-17(2,3)11-16/h6-9,13,16,18H,4-5,10-12H2,1-3H3
InChIKeyYNKMMTIXMCJSKV-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.47
Rot. Bonds3

About 2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol

2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol (PubChem CID 117368882) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol
PubChem CID117368882
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(C2CCCC(C)(C)C2)cc1
InChIInChI=1S/C17H26O/c1-13(12-18)14-6-8-15(9-7-14)16-5-4-10-17(2,3)11-16/h6-9,13,16,18H,4-5,10-12H2,1-3H3
InChIKeyYNKMMTIXMCJSKV-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

Analyze 2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-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

3-[4-(3,3-dimethylcyclohexyl)phenyl]butanal
CID 117399936
2-[2-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol
CID 117368880
3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid
CID 117484278
1-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]cyclopropan-1-amine
CID 117397294
3-[4-(3,3-dimethylcyclohexyl)phenyl]propanal
CID 117363267
2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol
CID 117372106
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine
CID 115005957
2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine
CID 117460005
1-(3,3-dimethylcyclohexyl)-4-(1-isocyanatocyclobutyl)benzene
CID 117455796
1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol
CID 117363257
1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine
CID 117431724

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol?
The IUPAC name of 2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol (CID 117368882) is 2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol?
The canonical SMILES for 2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol is CC(CO)c1ccc(C2CCCC(C)(C)C2)cc1.
What is the InChIKey of 2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol?
The InChIKey is YNKMMTIXMCJSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-13(12-18)14-6-8-15(9-7-14)16-5-4-10-17(2,3)11-16/h6-9,13,16,18H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol?
2-[4-(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-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol is sourced from PubChem (CID 117368882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).