1,2-dichloro-4-(chloromethyl)benzene

C7H5Cl3 — CID 7609

IUPAC1,2-dichloro-4-(chloromethyl)benzene
SMILESClCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKeyYZIFVWOCPGPNHB-UHFFFAOYSA-N
MW195.48 g/mol
LogP3.73
Rot. Bonds1

About 1,2-dichloro-4-(chloromethyl)benzene

1,2-dichloro-4-(chloromethyl)benzene (PubChem CID 7609) has the molecular formula C7H5Cl3 and a molecular weight of 195.48 g/mol. Its IUPAC name is 1,2-dichloro-4-(chloromethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(chloromethyl)benzene
PubChem CID7609
Molecular FormulaC7H5Cl3
Molecular Weight195.48 g/mol
Exact Mass193.95
IUPAC Name1,2-dichloro-4-(chloromethyl)benzene
SMILESClCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKeyYZIFVWOCPGPNHB-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dichloro-4-(chloromethyl)benzene 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 1,2-dichloro-4-(chloromethyl)benzene?
The IUPAC name of 1,2-dichloro-4-(chloromethyl)benzene (CID 7609) is 1,2-dichloro-4-(chloromethyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(chloromethyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(chloromethyl)benzene is ClCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(chloromethyl)benzene?
The InChIKey is YZIFVWOCPGPNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2.
What are the key properties of 1,2-dichloro-4-(chloromethyl)benzene?
1,2-dichloro-4-(chloromethyl)benzene has a molecular weight of 195.48 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(chloromethyl)benzene is sourced from PubChem (CID 7609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).