3-ethoxycyclohexa-3,5-diene-1,2-diol

C8H12O3 — CID 85401008

IUPAC3-ethoxycyclohexa-3,5-diene-1,2-diol
SMILESCCOC1=CC=CC(O)C1O
InChIInChI=1S/C8H12O3/c1-2-11-7-5-3-4-6(9)8(7)10/h3-6,8-10H,2H2,1H3
InChIKeyYIADIIBZZYSAHF-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.20
Rot. Bonds2

About 3-ethoxycyclohexa-3,5-diene-1,2-diol

3-ethoxycyclohexa-3,5-diene-1,2-diol (PubChem CID 85401008) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-ethoxycyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name3-ethoxycyclohexa-3,5-diene-1,2-diol
PubChem CID85401008
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name3-ethoxycyclohexa-3,5-diene-1,2-diol
SMILESCCOC1=CC=CC(O)C1O
InChIInChI=1S/C8H12O3/c1-2-11-7-5-3-4-6(9)8(7)10/h3-6,8-10H,2H2,1H3
InChIKeyYIADIIBZZYSAHF-UHFFFAOYSA-N
XLogP0.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethoxycyclohexa-3,5-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 3-ethoxycyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 3-ethoxycyclohexa-3,5-diene-1,2-diol (CID 85401008) is 3-ethoxycyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 3-ethoxycyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 3-ethoxycyclohexa-3,5-diene-1,2-diol is CCOC1=CC=CC(O)C1O.
What is the InChIKey of 3-ethoxycyclohexa-3,5-diene-1,2-diol?
The InChIKey is YIADIIBZZYSAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-11-7-5-3-4-6(9)8(7)10/h3-6,8-10H,2H2,1H3.
What are the key properties of 3-ethoxycyclohexa-3,5-diene-1,2-diol?
3-ethoxycyclohexa-3,5-diene-1,2-diol has a molecular weight of 156.18 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 85401008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).