cyclohexa-1,3-diene-1,2-diol

C6H8O2 — CID 14731724

IUPACcyclohexa-1,3-diene-1,2-diol
SMILESOC1=C(O)CCC=C1
InChIInChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1,3,7-8H,2,4H2
InChIKeyJNYVPTHMUXMTQC-UHFFFAOYSA-N
MW112.13 g/mol
LogP1.66
Rot. Bonds

About cyclohexa-1,3-diene-1,2-diol

cyclohexa-1,3-diene-1,2-diol (PubChem CID 14731724) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is cyclohexa-1,3-diene-1,2-diol.

Molecular Properties

Compound Namecyclohexa-1,3-diene-1,2-diol
PubChem CID14731724
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Namecyclohexa-1,3-diene-1,2-diol
SMILESOC1=C(O)CCC=C1
InChIInChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1,3,7-8H,2,4H2
InChIKeyJNYVPTHMUXMTQC-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclohexa-1,3-diene-1,2-diol 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 cyclohexa-1,3-diene-1,2-diol?
The IUPAC name of cyclohexa-1,3-diene-1,2-diol (CID 14731724) is cyclohexa-1,3-diene-1,2-diol.
What is the SMILES notation for cyclohexa-1,3-diene-1,2-diol?
The canonical SMILES for cyclohexa-1,3-diene-1,2-diol is OC1=C(O)CCC=C1.
What is the InChIKey of cyclohexa-1,3-diene-1,2-diol?
The InChIKey is JNYVPTHMUXMTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1,3,7-8H,2,4H2.
What are the key properties of cyclohexa-1,3-diene-1,2-diol?
cyclohexa-1,3-diene-1,2-diol has a molecular weight of 112.13 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene-1,2-diol is sourced from PubChem (CID 14731724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).