1,4-dichloro-2-deuteriobenzene

C6H4Cl2 — CID 20825014

IUPAC1,4-dichloro-2-deuteriobenzene
SMILES[2H]c1cc(Cl)ccc1Cl
InChIInChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D
InChIKeyOCJBOOLMMGQPQU-MICDWDOJSA-N
MW148.01 g/mol
LogP2.99
Rot. Bonds

About 1,4-dichloro-2-deuteriobenzene

1,4-dichloro-2-deuteriobenzene (PubChem CID 20825014) has the molecular formula C6H4Cl2 and a molecular weight of 148.01 g/mol. Its IUPAC name is 1,4-dichloro-2-deuteriobenzene.

Molecular Properties

Compound Name1,4-dichloro-2-deuteriobenzene
PubChem CID20825014
Molecular FormulaC6H4Cl2
Molecular Weight148.01 g/mol
Exact Mass146.98
IUPAC Name1,4-dichloro-2-deuteriobenzene
SMILES[2H]c1cc(Cl)ccc1Cl
InChIInChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D
InChIKeyOCJBOOLMMGQPQU-MICDWDOJSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.01
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-dichloro-2-deuteriobenzene 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 1,4-dichloro-2-deuteriobenzene?
The IUPAC name of 1,4-dichloro-2-deuteriobenzene (CID 20825014) is 1,4-dichloro-2-deuteriobenzene.
What is the SMILES notation for 1,4-dichloro-2-deuteriobenzene?
The canonical SMILES for 1,4-dichloro-2-deuteriobenzene is [2H]c1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-deuteriobenzene?
The InChIKey is OCJBOOLMMGQPQU-MICDWDOJSA-N. The full InChI is InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D.
What are the key properties of 1,4-dichloro-2-deuteriobenzene?
1,4-dichloro-2-deuteriobenzene has a molecular weight of 148.01 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-deuteriobenzene is sourced from PubChem (CID 20825014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).