2-cyclohexylethanol

C8H16O — CID 20508

IUPAC2-cyclohexylethanol
SMILESOCCC1CCCCC1
InChIInChI=1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyQJQZRLXDLORINA-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.95
Rot. Bonds2

About 2-cyclohexylethanol

2-cyclohexylethanol (PubChem CID 20508) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-cyclohexylethanol.

Molecular Properties

Compound Name2-cyclohexylethanol
PubChem CID20508
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name2-cyclohexylethanol
SMILESOCCC1CCCCC1
InChIInChI=1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyQJQZRLXDLORINA-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-cyclohexylethanol 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 2-cyclohexylethanol?
The IUPAC name of 2-cyclohexylethanol (CID 20508) is 2-cyclohexylethanol.
What is the SMILES notation for 2-cyclohexylethanol?
The canonical SMILES for 2-cyclohexylethanol is OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethanol?
The InChIKey is QJQZRLXDLORINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of 2-cyclohexylethanol?
2-cyclohexylethanol has a molecular weight of 128.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethanol is sourced from PubChem (CID 20508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).