1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene

C16H16BrCl — CID 63542441

IUPAC1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene
SMILESCc1cccc(C(Br)Cc2ccc(Cl)cc2)c1C
InChIInChI=1S/C16H16BrCl/c1-11-4-3-5-15(12(11)2)16(17)10-13-6-8-14(18)9-7-13/h3-9,16H,10H2,1-2H3
InChIKeyARGROTGKLQNYJT-UHFFFAOYSA-N
MW323.66 g/mol
LogP5.64
Rot. Bonds3

About 1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene

1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene (PubChem CID 63542441) has the molecular formula C16H16BrCl and a molecular weight of 323.66 g/mol. Its IUPAC name is 1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene
PubChem CID63542441
Molecular FormulaC16H16BrCl
Molecular Weight323.66 g/mol
Exact Mass322.01
IUPAC Name1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene
SMILESCc1cccc(C(Br)Cc2ccc(Cl)cc2)c1C
InChIInChI=1S/C16H16BrCl/c1-11-4-3-5-15(12(11)2)16(17)10-13-6-8-14(18)9-7-13/h3-9,16H,10H2,1-2H3
InChIKeyARGROTGKLQNYJT-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

1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene
CID 63437033
1-(1-bromo-2-phenylethyl)-2-methylbenzene
CID 63529712
1-[2-bromo-2-(2,3-dimethylphenyl)ethyl]naphthalene
CID 63544130
3-[1-bromo-2-(4-chlorophenyl)ethyl]-2,5-dimethylthiophene
CID 55198965
2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-4-chloro-1-methylbenzene
CID 82891114
5-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63542434
1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene
CID 63543130
1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461235
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene
CID 63444898
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
CID 63437552
1-[bromo-(2,3-dimethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319692
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-methylbenzene
CID 82890576

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene?
The IUPAC name of 1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene (CID 63542441) is 1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene is Cc1cccc(C(Br)Cc2ccc(Cl)cc2)c1C.
What is the InChIKey of 1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene?
The InChIKey is ARGROTGKLQNYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl/c1-11-4-3-5-15(12(11)2)16(17)10-13-6-8-14(18)9-7-13/h3-9,16H,10H2,1-2H3.
What are the key properties of 1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene?
1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-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 1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene is sourced from PubChem (CID 63542441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).