4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene

C15H13BrCl2 — CID 63437434

IUPAC4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
SMILESCc1ccc(C(Br)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13BrCl2/c1-10-2-5-12(6-3-10)13(16)8-11-4-7-14(17)15(18)9-11/h2-7,9,13H,8H2,1H3
InChIKeySWSLOMCXNVZYRY-UHFFFAOYSA-N
MW344.08 g/mol
LogP5.98
Rot. Bonds3

About 4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene

4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene (PubChem CID 63437434) has the molecular formula C15H13BrCl2 and a molecular weight of 344.08 g/mol. Its IUPAC name is 4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
PubChem CID63437434
Molecular FormulaC15H13BrCl2
Molecular Weight344.08 g/mol
Exact Mass341.96
IUPAC Name4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
SMILESCc1ccc(C(Br)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13BrCl2/c1-10-2-5-12(6-3-10)13(16)8-11-4-7-14(17)15(18)9-11/h2-7,9,13H,8H2,1H3
InChIKeySWSLOMCXNVZYRY-UHFFFAOYSA-N
XLogP5.98
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 ≤ 55.98
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-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-methylbenzene
CID 113396997
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
CID 107993456
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2,4-dimethylbenzene
CID 63438267
2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene
CID 63441847
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene
CID 63529429
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
CID 63435247
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
CID 55224478
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
CID 63437552
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene?
The IUPAC name of 4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene (CID 63437434) is 4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene is Cc1ccc(C(Br)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene?
The InChIKey is SWSLOMCXNVZYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2/c1-10-2-5-12(6-3-10)13(16)8-11-4-7-14(17)15(18)9-11/h2-7,9,13H,8H2,1H3.
What are the key properties of 4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene?
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene has a molecular weight of 344.08 g/mol, XLogP of 5.98, 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-methylphenyl)ethyl]-1,2-dichlorobenzene is sourced from PubChem (CID 63437434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).