4-methoxycyclohex-4-ene-1,2-diol

C7H12O3 — CID 89358847

IUPAC4-methoxycyclohex-4-ene-1,2-diol
SMILESCOC1=CCC(O)C(O)C1
InChIInChI=1S/C7H12O3/c1-10-5-2-3-6(8)7(9)4-5/h2,6-9H,3-4H2,1H3
InChIKeyDKZBUZLJVWYQAR-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.03
Rot. Bonds1

About 4-methoxycyclohex-4-ene-1,2-diol

4-methoxycyclohex-4-ene-1,2-diol (PubChem CID 89358847) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-methoxycyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name4-methoxycyclohex-4-ene-1,2-diol
PubChem CID89358847
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name4-methoxycyclohex-4-ene-1,2-diol
SMILESCOC1=CCC(O)C(O)C1
InChIInChI=1S/C7H12O3/c1-10-5-2-3-6(8)7(9)4-5/h2,6-9H,3-4H2,1H3
InChIKeyDKZBUZLJVWYQAR-UHFFFAOYSA-N
XLogP0.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxycyclohex-4-ene-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 4-methoxycyclohex-4-ene-1,2-diol?
The IUPAC name of 4-methoxycyclohex-4-ene-1,2-diol (CID 89358847) is 4-methoxycyclohex-4-ene-1,2-diol.
What is the SMILES notation for 4-methoxycyclohex-4-ene-1,2-diol?
The canonical SMILES for 4-methoxycyclohex-4-ene-1,2-diol is COC1=CCC(O)C(O)C1.
What is the InChIKey of 4-methoxycyclohex-4-ene-1,2-diol?
The InChIKey is DKZBUZLJVWYQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-10-5-2-3-6(8)7(9)4-5/h2,6-9H,3-4H2,1H3.
What are the key properties of 4-methoxycyclohex-4-ene-1,2-diol?
4-methoxycyclohex-4-ene-1,2-diol has a molecular weight of 144.17 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycyclohex-4-ene-1,2-diol is sourced from PubChem (CID 89358847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).