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

C14H10BrCl3 — CID 63437197

IUPAC4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
SMILESClc1ccc(C(Br)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H10BrCl3/c15-12(10-2-4-11(16)5-3-10)7-9-1-6-13(17)14(18)8-9/h1-6,8,12H,7H2
InChIKeyKGGNHNPVYIXMFI-UHFFFAOYSA-N
MW364.50 g/mol
LogP6.33
Rot. Bonds3

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

4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene (PubChem CID 63437197) has the molecular formula C14H10BrCl3 and a molecular weight of 364.50 g/mol. Its IUPAC name is 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
PubChem CID63437197
Molecular FormulaC14H10BrCl3
Molecular Weight364.50 g/mol
Exact Mass361.90
IUPAC Name4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
SMILESClc1ccc(C(Br)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H10BrCl3/c15-12(10-2-4-11(16)5-3-10)7-9-1-6-13(17)14(18)8-9/h1-6,8,12H,7H2
InChIKeyKGGNHNPVYIXMFI-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 56.33
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-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene
CID 63529429
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
CID 107993456
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
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447
4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene
CID 107993413
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-methylbenzene
CID 113396997
1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-iodobenzene
CID 63543126
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
CID 63435247
4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 55225048

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene?
The IUPAC name of 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene (CID 63437197) is 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene is Clc1ccc(C(Br)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene?
The InChIKey is KGGNHNPVYIXMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3/c15-12(10-2-4-11(16)5-3-10)7-9-1-6-13(17)14(18)8-9/h1-6,8,12H,7H2.
What are the key properties of 4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene?
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene has a molecular weight of 364.50 g/mol, XLogP of 6.33, 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-dichlorobenzene is sourced from PubChem (CID 63437197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).