[dichloro(phenyl)methyl]benzene

C13H10Cl2 — CID 16327

IUPAC[dichloro(phenyl)methyl]benzene
SMILESClC(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10Cl2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyOPTDDWCXQQYKGU-UHFFFAOYSA-N
MW237.13 g/mol
LogP4.37
Rot. Bonds2

About [dichloro(phenyl)methyl]benzene

[dichloro(phenyl)methyl]benzene (PubChem CID 16327) has the molecular formula C13H10Cl2 and a molecular weight of 237.13 g/mol. Its IUPAC name is [dichloro(phenyl)methyl]benzene.

Molecular Properties

Compound Name[dichloro(phenyl)methyl]benzene
PubChem CID16327
Molecular FormulaC13H10Cl2
Molecular Weight237.13 g/mol
Exact Mass236.02
IUPAC Name[dichloro(phenyl)methyl]benzene
SMILESClC(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10Cl2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyOPTDDWCXQQYKGU-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [dichloro(phenyl)methyl]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 [dichloro(phenyl)methyl]benzene?
The IUPAC name of [dichloro(phenyl)methyl]benzene (CID 16327) is [dichloro(phenyl)methyl]benzene.
What is the SMILES notation for [dichloro(phenyl)methyl]benzene?
The canonical SMILES for [dichloro(phenyl)methyl]benzene is ClC(Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of [dichloro(phenyl)methyl]benzene?
The InChIKey is OPTDDWCXQQYKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of [dichloro(phenyl)methyl]benzene?
[dichloro(phenyl)methyl]benzene has a molecular weight of 237.13 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro(phenyl)methyl]benzene is sourced from PubChem (CID 16327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).