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

C15H13BrCl2 — CID 55224259

IUPAC4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene
SMILESCc1ccccc1CC(Cl)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H13BrCl2/c1-10-4-2-3-5-11(10)8-15(18)13-9-12(16)6-7-14(13)17/h2-7,9,15H,8H2,1H3
InChIKeyZTUPQIPRPRKWKE-UHFFFAOYSA-N
MW344.08 g/mol
LogP5.93
Rot. Bonds3

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

4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene (PubChem CID 55224259) has the molecular formula C15H13BrCl2 and a molecular weight of 344.08 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene
PubChem CID55224259
Molecular FormulaC15H13BrCl2
Molecular Weight344.08 g/mol
Exact Mass341.96
IUPAC Name4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene
SMILESCc1ccccc1CC(Cl)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H13BrCl2/c1-10-4-2-3-5-11(10)8-15(18)13-9-12(16)6-7-14(13)17/h2-7,9,15H,8H2,1H3
InChIKeyZTUPQIPRPRKWKE-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

1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526896
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 63527757
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanamine
CID 43109344
1-[2-(4-bromo-2-methylphenyl)-2-chloroethyl]naphthalene
CID 63519350
(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanol
CID 114979219
4-bromo-2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]benzene
CID 63544049
2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene
CID 55222581
1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol
CID 114033074
2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
CID 66460552
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene?
The IUPAC name of 4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene (CID 55224259) is 4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene?
The canonical SMILES for 4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene is Cc1ccccc1CC(Cl)c1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene?
The InChIKey is ZTUPQIPRPRKWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2/c1-10-4-2-3-5-11(10)8-15(18)13-9-12(16)6-7-14(13)17/h2-7,9,15H,8H2,1H3.
What are the key properties of 4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene?
4-bromo-1-chloro-2-[1-chloro-2-(2-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 4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene is sourced from PubChem (CID 55224259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).