3-(2-ethyl-1,4-dimethylcyclohexyl)phenol

C16H24O — CID 123852925

IUPAC3-(2-ethyl-1,4-dimethylcyclohexyl)phenol
SMILESCCC1CC(C)CCC1(C)c1cccc(O)c1
InChIInChI=1S/C16H24O/c1-4-13-10-12(2)8-9-16(13,3)14-6-5-7-15(17)11-14/h5-7,11-13,17H,4,8-10H2,1-3H3
InChIKeyMBSDPDXLSCFSJN-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.50
Rot. Bonds2

About 3-(2-ethyl-1,4-dimethylcyclohexyl)phenol

3-(2-ethyl-1,4-dimethylcyclohexyl)phenol (PubChem CID 123852925) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-(2-ethyl-1,4-dimethylcyclohexyl)phenol.

Molecular Properties

Compound Name3-(2-ethyl-1,4-dimethylcyclohexyl)phenol
PubChem CID123852925
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name3-(2-ethyl-1,4-dimethylcyclohexyl)phenol
SMILESCCC1CC(C)CCC1(C)c1cccc(O)c1
InChIInChI=1S/C16H24O/c1-4-13-10-12(2)8-9-16(13,3)14-6-5-7-15(17)11-14/h5-7,11-13,17H,4,8-10H2,1-3H3
InChIKeyMBSDPDXLSCFSJN-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-ethyl-1,4-dimethylcyclohexyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-1,4-dimethylcyclohexyl)phenol?
The IUPAC name of 3-(2-ethyl-1,4-dimethylcyclohexyl)phenol (CID 123852925) is 3-(2-ethyl-1,4-dimethylcyclohexyl)phenol.
What is the SMILES notation for 3-(2-ethyl-1,4-dimethylcyclohexyl)phenol?
The canonical SMILES for 3-(2-ethyl-1,4-dimethylcyclohexyl)phenol is CCC1CC(C)CCC1(C)c1cccc(O)c1.
What is the InChIKey of 3-(2-ethyl-1,4-dimethylcyclohexyl)phenol?
The InChIKey is MBSDPDXLSCFSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-4-13-10-12(2)8-9-16(13,3)14-6-5-7-15(17)11-14/h5-7,11-13,17H,4,8-10H2,1-3H3.
What are the key properties of 3-(2-ethyl-1,4-dimethylcyclohexyl)phenol?
3-(2-ethyl-1,4-dimethylcyclohexyl)phenol has a molecular weight of 232.37 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-1,4-dimethylcyclohexyl)phenol is sourced from PubChem (CID 123852925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).