2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene

C16H15Br2Cl — CID 55222581

IUPAC2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC(Br)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C16H15Br2Cl/c1-10-3-4-11(2)12(7-10)8-15(18)14-9-13(17)5-6-16(14)19/h3-7,9,15H,8H2,1-2H3
InChIKeyHNCGAMLZMZCUJP-UHFFFAOYSA-N
MW402.56 g/mol
LogP6.40
Rot. Bonds3

About 2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene

2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene (PubChem CID 55222581) has the molecular formula C16H15Br2Cl and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene
PubChem CID55222581
Molecular FormulaC16H15Br2Cl
Molecular Weight402.56 g/mol
Exact Mass399.92
IUPAC Name2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC(Br)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C16H15Br2Cl/c1-10-3-4-11(2)12(7-10)8-15(18)14-9-13(17)5-6-16(14)19/h3-7,9,15H,8H2,1-2H3
InChIKeyHNCGAMLZMZCUJP-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

4-bromo-2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-chlorobenzene
CID 63542384
2-bromo-1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-4-chlorobenzene
CID 107993440
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443786
2-[2-(5-bromo-2-fluorophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 63544422
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2,4-difluorobenzene
CID 55219697
[1-(4-bromo-2-chlorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105335288
2-[2-(4-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55219227
5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63477043
4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene
CID 55224259
[1-(5-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine
CID 106868638
2-[2-bromo-2-(3-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63531076
2-[2-(4-bromophenyl)-3-chloropropyl]-1,4-dimethylbenzene
CID 79434130

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene (CID 55222581) is 2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene is Cc1ccc(C)c(CC(Br)c2cc(Br)ccc2Cl)c1.
What is the InChIKey of 2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene?
The InChIKey is HNCGAMLZMZCUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2Cl/c1-10-3-4-11(2)12(7-10)8-15(18)14-9-13(17)5-6-16(14)19/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene?
2-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene 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-[2-bromo-2-(5-bromo-2-chlorophenyl)ethyl]-1,4-dimethylbenzene is sourced from PubChem (CID 55222581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).