2-cyclohexa-1,4-dien-1-ylethanol

C8H12O — CID 11829428

IUPAC2-cyclohexa-1,4-dien-1-ylethanol
SMILESOCCC1=CCC=CC1
InChIInChI=1S/C8H12O/c9-7-6-8-4-2-1-3-5-8/h1-2,5,9H,3-4,6-7H2
InChIKeyGLKYOAYIWSUFAS-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.65
Rot. Bonds2

About 2-cyclohexa-1,4-dien-1-ylethanol

2-cyclohexa-1,4-dien-1-ylethanol (PubChem CID 11829428) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-cyclohexa-1,4-dien-1-ylethanol.

Molecular Properties

Compound Name2-cyclohexa-1,4-dien-1-ylethanol
PubChem CID11829428
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-cyclohexa-1,4-dien-1-ylethanol
SMILESOCCC1=CCC=CC1
InChIInChI=1S/C8H12O/c9-7-6-8-4-2-1-3-5-8/h1-2,5,9H,3-4,6-7H2
InChIKeyGLKYOAYIWSUFAS-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-cyclohexa-1,4-dien-1-ylethanol 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-cyclohexa-1,4-dien-1-ylethanol?
The IUPAC name of 2-cyclohexa-1,4-dien-1-ylethanol (CID 11829428) is 2-cyclohexa-1,4-dien-1-ylethanol.
What is the SMILES notation for 2-cyclohexa-1,4-dien-1-ylethanol?
The canonical SMILES for 2-cyclohexa-1,4-dien-1-ylethanol is OCCC1=CCC=CC1.
What is the InChIKey of 2-cyclohexa-1,4-dien-1-ylethanol?
The InChIKey is GLKYOAYIWSUFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c9-7-6-8-4-2-1-3-5-8/h1-2,5,9H,3-4,6-7H2.
What are the key properties of 2-cyclohexa-1,4-dien-1-ylethanol?
2-cyclohexa-1,4-dien-1-ylethanol has a molecular weight of 124.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,4-dien-1-ylethanol is sourced from PubChem (CID 11829428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).