2,5-dichlorocyclohexa-2,5-diene-1,4-diol

C12H12Cl4O4 — CID 175455765

IUPAC2,5-dichlorocyclohexa-2,5-diene-1,4-diol
SMILESOC1C=C(Cl)C(O)C=C1Cl.OC1C=C(Cl)C(O)C=C1Cl
InChIInChI=1S/2C6H6Cl2O2/c2*7-3-1-5(9)4(8)2-6(3)10/h2*1-2,5-6,9-10H
InChIKeyDBELQQDVTIQITR-UHFFFAOYSA-N
MW362.04 g/mol
LogP1.93
Rot. Bonds

About 2,5-dichlorocyclohexa-2,5-diene-1,4-diol

2,5-dichlorocyclohexa-2,5-diene-1,4-diol (PubChem CID 175455765) has the molecular formula C12H12Cl4O4 and a molecular weight of 362.04 g/mol. Its IUPAC name is 2,5-dichlorocyclohexa-2,5-diene-1,4-diol.

Molecular Properties

Compound Name2,5-dichlorocyclohexa-2,5-diene-1,4-diol
PubChem CID175455765
Molecular FormulaC12H12Cl4O4
Molecular Weight362.04 g/mol
Exact Mass359.95
IUPAC Name2,5-dichlorocyclohexa-2,5-diene-1,4-diol
SMILESOC1C=C(Cl)C(O)C=C1Cl.OC1C=C(Cl)C(O)C=C1Cl
InChIInChI=1S/2C6H6Cl2O2/c2*7-3-1-5(9)4(8)2-6(3)10/h2*1-2,5-6,9-10H
InChIKeyDBELQQDVTIQITR-UHFFFAOYSA-N
XLogP1.93
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.04
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,5-dichlorocyclohexa-2,5-diene-1,4-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 2,5-dichlorocyclohexa-2,5-diene-1,4-diol?
The IUPAC name of 2,5-dichlorocyclohexa-2,5-diene-1,4-diol (CID 175455765) is 2,5-dichlorocyclohexa-2,5-diene-1,4-diol.
What is the SMILES notation for 2,5-dichlorocyclohexa-2,5-diene-1,4-diol?
The canonical SMILES for 2,5-dichlorocyclohexa-2,5-diene-1,4-diol is OC1C=C(Cl)C(O)C=C1Cl.OC1C=C(Cl)C(O)C=C1Cl.
What is the InChIKey of 2,5-dichlorocyclohexa-2,5-diene-1,4-diol?
The InChIKey is DBELQQDVTIQITR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6Cl2O2/c2*7-3-1-5(9)4(8)2-6(3)10/h2*1-2,5-6,9-10H.
What are the key properties of 2,5-dichlorocyclohexa-2,5-diene-1,4-diol?
2,5-dichlorocyclohexa-2,5-diene-1,4-diol has a molecular weight of 362.04 g/mol, XLogP of 1.93, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorocyclohexa-2,5-diene-1,4-diol is sourced from PubChem (CID 175455765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).