1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene

C15H10Cl6 — CID 19844387

IUPAC1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene
SMILESClC(Cl)c1ccccc1C(Cl)(Cl)c1ccccc1C(Cl)Cl
InChIInChI=1S/C15H10Cl6/c16-13(17)9-5-1-3-7-11(9)15(20,21)12-8-4-2-6-10(12)14(18)19/h1-8,13-14H
InChIKeyIRUOMPGNAULIQG-UHFFFAOYSA-N
MW402.96 g/mol
LogP7.32
Rot. Bonds4

About 1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene

1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene (PubChem CID 19844387) has the molecular formula C15H10Cl6 and a molecular weight of 402.96 g/mol. Its IUPAC name is 1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene.

Molecular Properties

Compound Name1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene
PubChem CID19844387
Molecular FormulaC15H10Cl6
Molecular Weight402.96 g/mol
Exact Mass399.89
IUPAC Name1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene
SMILESClC(Cl)c1ccccc1C(Cl)(Cl)c1ccccc1C(Cl)Cl
InChIInChI=1S/C15H10Cl6/c16-13(17)9-5-1-3-7-11(9)15(20,21)12-8-4-2-6-10(12)14(18)19/h1-8,13-14H
InChIKeyIRUOMPGNAULIQG-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.96
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)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-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene?
The IUPAC name of 1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene (CID 19844387) is 1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene.
What is the SMILES notation for 1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene?
The canonical SMILES for 1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene is ClC(Cl)c1ccccc1C(Cl)(Cl)c1ccccc1C(Cl)Cl.
What is the InChIKey of 1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene?
The InChIKey is IRUOMPGNAULIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl6/c16-13(17)9-5-1-3-7-11(9)15(20,21)12-8-4-2-6-10(12)14(18)19/h1-8,13-14H.
What are the key properties of 1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene?
1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene has a molecular weight of 402.96 g/mol, XLogP of 7.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dichloro-[2-(dichloromethyl)phenyl]methyl]-2-(dichloromethyl)benzene is sourced from PubChem (CID 19844387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).