5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene

C8H10Cl2O2 — CID 70578441

IUPAC5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene
SMILESCOC1=CC(Cl)C(Cl)(OC)C=C1
InChIInChI=1S/C8H10Cl2O2/c1-11-6-3-4-8(10,12-2)7(9)5-6/h3-5,7H,1-2H3
InChIKeyQJEOPNUVGOOOAP-UHFFFAOYSA-N
MW209.07 g/mol
LogP2.28
Rot. Bonds2

About 5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene

5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene (PubChem CID 70578441) has the molecular formula C8H10Cl2O2 and a molecular weight of 209.07 g/mol. Its IUPAC name is 5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene
PubChem CID70578441
Molecular FormulaC8H10Cl2O2
Molecular Weight209.07 g/mol
Exact Mass208.01
IUPAC Name5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene
SMILESCOC1=CC(Cl)C(Cl)(OC)C=C1
InChIInChI=1S/C8H10Cl2O2/c1-11-6-3-4-8(10,12-2)7(9)5-6/h3-5,7H,1-2H3
InChIKeyQJEOPNUVGOOOAP-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene 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 5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene?
The IUPAC name of 5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene (CID 70578441) is 5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene?
The canonical SMILES for 5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene is COC1=CC(Cl)C(Cl)(OC)C=C1.
What is the InChIKey of 5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene?
The InChIKey is QJEOPNUVGOOOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O2/c1-11-6-3-4-8(10,12-2)7(9)5-6/h3-5,7H,1-2H3.
What are the key properties of 5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene?
5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene has a molecular weight of 209.07 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2,5-dimethoxycyclohexa-1,3-diene is sourced from PubChem (CID 70578441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).