2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene

C14H10Br3Cl — CID 107993393

IUPAC2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene
SMILESClc1ccc(C(Br)Cc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H10Br3Cl/c15-11-4-1-9(2-5-11)7-12(16)10-3-6-14(18)13(17)8-10/h1-6,8,12H,7H2
InChIKeyMONDQJKAPYYLOZ-UHFFFAOYSA-N
MW453.40 g/mol
LogP6.54
Rot. Bonds3

About 2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene

2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene (PubChem CID 107993393) has the molecular formula C14H10Br3Cl and a molecular weight of 453.40 g/mol. Its IUPAC name is 2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene.

Molecular Properties

Compound Name2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene
PubChem CID107993393
Molecular FormulaC14H10Br3Cl
Molecular Weight453.40 g/mol
Exact Mass449.80
IUPAC Name2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene
SMILESClc1ccc(C(Br)Cc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H10Br3Cl/c15-11-4-1-9(2-5-11)7-12(16)10-3-6-14(18)13(17)8-10/h1-6,8,12H,7H2
InChIKeyMONDQJKAPYYLOZ-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.40
LogP ≤ 56.54
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

2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
CID 107993456
1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene
CID 81308421
2-bromo-4-[bromo-[4-(2-methylpropyl)phenyl]methyl]-1-chlorobenzene
CID 107991588
2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene
CID 107993414
4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene
CID 107993413
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
3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
CID 102836965
2-[2-bromo-2-(3-bromo-4-chlorophenyl)ethyl]-5-methylpyridine
CID 107995683
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
CID 55224478
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-methylbenzene
CID 113396997
2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene
CID 107993341

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene?
The IUPAC name of 2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene (CID 107993393) is 2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene.
What is the SMILES notation for 2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene?
The canonical SMILES for 2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene is Clc1ccc(C(Br)Cc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene?
The InChIKey is MONDQJKAPYYLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3Cl/c15-11-4-1-9(2-5-11)7-12(16)10-3-6-14(18)13(17)8-10/h1-6,8,12H,7H2.
What are the key properties of 2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene?
2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene has a molecular weight of 453.40 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene is sourced from PubChem (CID 107993393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).