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

C16H16BrCl — CID 63437552

IUPAC4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC(Br)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C16H16BrCl/c1-11-3-4-13(9-12(11)2)10-16(17)14-5-7-15(18)8-6-14/h3-9,16H,10H2,1-2H3
InChIKeyAIPZZAREZJPWDR-UHFFFAOYSA-N
MW323.66 g/mol
LogP5.64
Rot. Bonds3

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

4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene (PubChem CID 63437552) has the molecular formula C16H16BrCl and a molecular weight of 323.66 g/mol. Its IUPAC name is 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
PubChem CID63437552
Molecular FormulaC16H16BrCl
Molecular Weight323.66 g/mol
Exact Mass322.01
IUPAC Name4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC(Br)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C16H16BrCl/c1-11-3-4-13(9-12(11)2)10-16(17)14-5-7-15(18)8-6-14/h3-9,16H,10H2,1-2H3
InChIKeyAIPZZAREZJPWDR-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.66
LogP ≤ 55.64
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-[2-bromo-2-(4-chloro-3-fluorophenyl)ethyl]-1,2-dimethylbenzene
CID 107993381
2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-4-chloro-1-methylbenzene
CID 82891114
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63414512
1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-iodobenzene
CID 63543126
4-[2-bromo-2-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63439211
4-[2-bromo-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene
CID 115483070
1-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-4-chloro-2-methoxybenzene
CID 63542728
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434
2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-5-chlorofuran
CID 106689774
1-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396021

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene (CID 63437552) is 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene is Cc1ccc(CC(Br)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene?
The InChIKey is AIPZZAREZJPWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl/c1-11-3-4-13(9-12(11)2)10-16(17)14-5-7-15(18)8-6-14/h3-9,16H,10H2,1-2H3.
What are the key properties of 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene?
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene has a molecular weight of 323.66 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene is sourced from PubChem (CID 63437552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).