4-chlorocyclohexa-3,5-diene-1,2-diol

C6H7ClO2 — CID 14361901

IUPAC4-chlorocyclohexa-3,5-diene-1,2-diol
SMILESOC1C=CC(Cl)=CC1O
InChIInChI=1S/C6H7ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,5-6,8-9H
InChIKeyVRIMFKOJXSTIGX-UHFFFAOYSA-N
MW146.57 g/mol
LogP0.40
Rot. Bonds

About 4-chlorocyclohexa-3,5-diene-1,2-diol

4-chlorocyclohexa-3,5-diene-1,2-diol (PubChem CID 14361901) has the molecular formula C6H7ClO2 and a molecular weight of 146.57 g/mol. Its IUPAC name is 4-chlorocyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name4-chlorocyclohexa-3,5-diene-1,2-diol
PubChem CID14361901
Molecular FormulaC6H7ClO2
Molecular Weight146.57 g/mol
Exact Mass146.01
IUPAC Name4-chlorocyclohexa-3,5-diene-1,2-diol
SMILESOC1C=CC(Cl)=CC1O
InChIInChI=1S/C6H7ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,5-6,8-9H
InChIKeyVRIMFKOJXSTIGX-UHFFFAOYSA-N
XLogP0.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chlorocyclohexa-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 4-chlorocyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 4-chlorocyclohexa-3,5-diene-1,2-diol (CID 14361901) is 4-chlorocyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 4-chlorocyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 4-chlorocyclohexa-3,5-diene-1,2-diol is OC1C=CC(Cl)=CC1O.
What is the InChIKey of 4-chlorocyclohexa-3,5-diene-1,2-diol?
The InChIKey is VRIMFKOJXSTIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,5-6,8-9H.
What are the key properties of 4-chlorocyclohexa-3,5-diene-1,2-diol?
4-chlorocyclohexa-3,5-diene-1,2-diol has a molecular weight of 146.57 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorocyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 14361901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).