2-benzyl-1-(bromomethyl)-3-chlorobenzene

C14H12BrCl — CID 154147704

IUPAC2-benzyl-1-(bromomethyl)-3-chlorobenzene
SMILESClc1cccc(CBr)c1Cc1ccccc1
InChIInChI=1S/C14H12BrCl/c15-10-12-7-4-8-14(16)13(12)9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyCBCMBWJINPJCTI-UHFFFAOYSA-N
MW295.61 g/mol
LogP4.83
Rot. Bonds3

About 2-benzyl-1-(bromomethyl)-3-chlorobenzene

2-benzyl-1-(bromomethyl)-3-chlorobenzene (PubChem CID 154147704) has the molecular formula C14H12BrCl and a molecular weight of 295.61 g/mol. Its IUPAC name is 2-benzyl-1-(bromomethyl)-3-chlorobenzene.

Molecular Properties

Compound Name2-benzyl-1-(bromomethyl)-3-chlorobenzene
PubChem CID154147704
Molecular FormulaC14H12BrCl
Molecular Weight295.61 g/mol
Exact Mass293.98
IUPAC Name2-benzyl-1-(bromomethyl)-3-chlorobenzene
SMILESClc1cccc(CBr)c1Cc1ccccc1
InChIInChI=1S/C14H12BrCl/c15-10-12-7-4-8-14(16)13(12)9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyCBCMBWJINPJCTI-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'}

Analyze 2-benzyl-1-(bromomethyl)-3-chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(bromomethyl)-3-chloro-2-ethylbenzene
CID 22641961
N-(2-benzyl-3-chlorophenyl)formamide
CID 19426648
2-benzyl-3-chlorobenzamide
CID 23225157
2-benzyl-1-(bromomethyl)-4-chlorobenzene
CID 154112430
2-benzyl-1,3-dichlorobenzene;bromobenzene;N-(2,6-dichlorophenyl)acetamide;methane
CID 160641235
1,3-bis(bromomethyl)-2-chlorobenzene
CID 612956
1-chloro-2-(2-phenylethyl)benzene
CID 21495838
1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene
CID 18332089
1,2-dichloro-3-(2-phenylethyl)benzene
CID 139886984
CID 173406319
CID 173406319
1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene
CID 11110991
benzylbenzene;ethane;methanamine
CID 54117827

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(bromomethyl)-3-chlorobenzene?
The IUPAC name of 2-benzyl-1-(bromomethyl)-3-chlorobenzene (CID 154147704) is 2-benzyl-1-(bromomethyl)-3-chlorobenzene.
What is the SMILES notation for 2-benzyl-1-(bromomethyl)-3-chlorobenzene?
The canonical SMILES for 2-benzyl-1-(bromomethyl)-3-chlorobenzene is Clc1cccc(CBr)c1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-(bromomethyl)-3-chlorobenzene?
The InChIKey is CBCMBWJINPJCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl/c15-10-12-7-4-8-14(16)13(12)9-11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 2-benzyl-1-(bromomethyl)-3-chlorobenzene?
2-benzyl-1-(bromomethyl)-3-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)-3-chlorobenzene is sourced from PubChem (CID 154147704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).