[chloro(phenyl)methyl]benzene

C13H11Cl — CID 7035

IUPAC[chloro(phenyl)methyl]benzene
SMILESClC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyZDVDCDLBOLSVGM-UHFFFAOYSA-N
MW202.68 g/mol
LogP4.01
Rot. Bonds2

About [chloro(phenyl)methyl]benzene

[chloro(phenyl)methyl]benzene (PubChem CID 7035) has the molecular formula C13H11Cl and a molecular weight of 202.68 g/mol. Its IUPAC name is [chloro(phenyl)methyl]benzene.

Molecular Properties

Compound Name[chloro(phenyl)methyl]benzene
PubChem CID7035
Molecular FormulaC13H11Cl
Molecular Weight202.68 g/mol
Exact Mass202.05
IUPAC Name[chloro(phenyl)methyl]benzene
SMILESClC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyZDVDCDLBOLSVGM-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [chloro(phenyl)methyl]benzene?
The IUPAC name of [chloro(phenyl)methyl]benzene (CID 7035) is [chloro(phenyl)methyl]benzene.
What is the SMILES notation for [chloro(phenyl)methyl]benzene?
The canonical SMILES for [chloro(phenyl)methyl]benzene is ClC(c1ccccc1)c1ccccc1.
What is the InChIKey of [chloro(phenyl)methyl]benzene?
The InChIKey is ZDVDCDLBOLSVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of [chloro(phenyl)methyl]benzene?
[chloro(phenyl)methyl]benzene has a molecular weight of 202.68 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(phenyl)methyl]benzene is sourced from PubChem (CID 7035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).