2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene

C15H13BrCl2 — CID 107993341

IUPAC2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene
SMILESCc1ccc(CC(Cl)c2ccc(Cl)c(Br)c2)cc1
InChIInChI=1S/C15H13BrCl2/c1-10-2-4-11(5-3-10)8-15(18)12-6-7-14(17)13(16)9-12/h2-7,9,15H,8H2,1H3
InChIKeyXELZHKIGBISUDE-UHFFFAOYSA-N
MW344.08 g/mol
LogP5.93
Rot. Bonds3

About 2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene

2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene (PubChem CID 107993341) has the molecular formula C15H13BrCl2 and a molecular weight of 344.08 g/mol. Its IUPAC name is 2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene
PubChem CID107993341
Molecular FormulaC15H13BrCl2
Molecular Weight344.08 g/mol
Exact Mass341.96
IUPAC Name2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene
SMILESCc1ccc(CC(Cl)c2ccc(Cl)c(Br)c2)cc1
InChIInChI=1S/C15H13BrCl2/c1-10-2-4-11(5-3-10)8-15(18)12-6-7-14(17)13(16)9-12/h2-7,9,15H,8H2,1H3
InChIKeyXELZHKIGBISUDE-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.08
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene
CID 107991616
4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63542159
1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
CID 81307831
2-bromo-4-[bromo-[4-(2-methylpropyl)phenyl]methyl]-1-chlorobenzene
CID 107991588
2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene
CID 107993393
4-[2-(3-bromo-4-chlorophenyl)-2-chloroethyl]-6-methoxypyrimidine
CID 107995691
2-[2-bromo-2-(3-bromo-4-chlorophenyl)ethyl]-5-methylpyridine
CID 107995683
6-[1-chloro-2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63433566
4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284003
4-[1-chloro-2-(4-methylphenyl)ethyl]pyridine
CID 63016107
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
CID 107993456

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene?
The IUPAC name of 2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene (CID 107993341) is 2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene.
What is the SMILES notation for 2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene?
The canonical SMILES for 2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene is Cc1ccc(CC(Cl)c2ccc(Cl)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene?
The InChIKey is XELZHKIGBISUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2/c1-10-2-4-11(5-3-10)8-15(18)12-6-7-14(17)13(16)9-12/h2-7,9,15H,8H2,1H3.
What are the key properties of 2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene?
2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene has a molecular weight of 344.08 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene is sourced from PubChem (CID 107993341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).