2-benzyl-1-(bromomethyl)-4-chlorobenzene

C14H12BrCl — CID 154112430

IUPAC2-benzyl-1-(bromomethyl)-4-chlorobenzene
SMILESClc1ccc(CBr)c(Cc2ccccc2)c1
InChIInChI=1S/C14H12BrCl/c15-10-12-6-7-14(16)9-13(12)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyWEPCKTJPKYUIEC-UHFFFAOYSA-N
MW295.61 g/mol
LogP4.83
Rot. Bonds3

About 2-benzyl-1-(bromomethyl)-4-chlorobenzene

2-benzyl-1-(bromomethyl)-4-chlorobenzene (PubChem CID 154112430) has the molecular formula C14H12BrCl and a molecular weight of 295.61 g/mol. Its IUPAC name is 2-benzyl-1-(bromomethyl)-4-chlorobenzene.

Molecular Properties

Compound Name2-benzyl-1-(bromomethyl)-4-chlorobenzene
PubChem CID154112430
Molecular FormulaC14H12BrCl
Molecular Weight295.61 g/mol
Exact Mass293.98
IUPAC Name2-benzyl-1-(bromomethyl)-4-chlorobenzene
SMILESClc1ccc(CBr)c(Cc2ccccc2)c1
InChIInChI=1S/C14H12BrCl/c15-10-12-6-7-14(16)9-13(12)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyWEPCKTJPKYUIEC-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.61
LogP ≤ 54.83
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 2-benzyl-1-(bromomethyl)-4-chlorobenzene?
The IUPAC name of 2-benzyl-1-(bromomethyl)-4-chlorobenzene (CID 154112430) is 2-benzyl-1-(bromomethyl)-4-chlorobenzene.
What is the SMILES notation for 2-benzyl-1-(bromomethyl)-4-chlorobenzene?
The canonical SMILES for 2-benzyl-1-(bromomethyl)-4-chlorobenzene is Clc1ccc(CBr)c(Cc2ccccc2)c1.
What is the InChIKey of 2-benzyl-1-(bromomethyl)-4-chlorobenzene?
The InChIKey is WEPCKTJPKYUIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl/c15-10-12-6-7-14(16)9-13(12)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2.
What are the key properties of 2-benzyl-1-(bromomethyl)-4-chlorobenzene?
2-benzyl-1-(bromomethyl)-4-chlorobenzene has a molecular weight of 295.61 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(bromomethyl)-4-chlorobenzene is sourced from PubChem (CID 154112430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).