2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene

C16H15Br2Cl — CID 107993440

IUPAC2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene
SMILESCc1ccc(C)c(CC(Br)c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C16H15Br2Cl/c1-10-3-4-11(2)12(7-10)8-15(17)14-6-5-13(19)9-16(14)18/h3-7,9,15H,8H2,1-2H3
InChIKeyLYQWXXXYBGSXBD-UHFFFAOYSA-N
MW402.56 g/mol
LogP6.40
Rot. Bonds3

About 2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene

2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene (PubChem CID 107993440) has the molecular formula C16H15Br2Cl and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene.

Molecular Properties

Compound Name2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene
PubChem CID107993440
Molecular FormulaC16H15Br2Cl
Molecular Weight402.56 g/mol
Exact Mass399.92
IUPAC Name2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene
SMILESCc1ccc(C)c(CC(Br)c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C16H15Br2Cl/c1-10-3-4-11(2)12(7-10)8-15(17)14-6-5-13(19)9-16(14)18/h3-7,9,15H,8H2,1-2H3
InChIKeyLYQWXXXYBGSXBD-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 56.40
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-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene
CID 55222581
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene
CID 55219697
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443786
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene
CID 114024870
1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 64916180
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 55149164
2-(2,4-dichlorophenyl)-3-(2,5-dimethylphenyl)propanenitrile
CID 82141328
[1-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287672
2-[2-bromo-2-(3-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63531076
2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55224263
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 105398473
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 107988840

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene?
The IUPAC name of 2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene (CID 107993440) is 2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene.
What is the SMILES notation for 2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene?
The canonical SMILES for 2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene is Cc1ccc(C)c(CC(Br)c2ccc(Cl)cc2Br)c1.
What is the InChIKey of 2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene?
The InChIKey is LYQWXXXYBGSXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2Cl/c1-10-3-4-11(2)12(7-10)8-15(17)14-6-5-13(19)9-16(14)18/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene?
2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene has a molecular weight of 402.56 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene is sourced from PubChem (CID 107993440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).