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

C14H10Br3Cl — CID 81308421

IUPAC1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene
SMILESClc1cc(C(Br)Cc2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C14H10Br3Cl/c15-11-4-1-9(2-5-11)7-13(17)10-3-6-12(16)14(18)8-10/h1-6,8,13H,7H2
InChIKeyBARUTAPGLCTWIN-UHFFFAOYSA-N
MW453.40 g/mol
LogP6.54
Rot. Bonds3

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

1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene (PubChem CID 81308421) has the molecular formula C14H10Br3Cl and a molecular weight of 453.40 g/mol. Its IUPAC name is 1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene.

Molecular Properties

Compound Name1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene
PubChem CID81308421
Molecular FormulaC14H10Br3Cl
Molecular Weight453.40 g/mol
Exact Mass449.80
IUPAC Name1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene
SMILESClc1cc(C(Br)Cc2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C14H10Br3Cl/c15-11-4-1-9(2-5-11)7-13(17)10-3-6-12(16)14(18)8-10/h1-6,8,13H,7H2
InChIKeyBARUTAPGLCTWIN-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-(4-bromophenyl)ethyl]-1-chlorobenzene
CID 107993393
1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene
CID 81307609
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
CID 107993456
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-methylbenzene
CID 113396997
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
CID 55224478
1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
CID 114980844
1-[2-bromo-2-(4-bromo-3-chlorophenyl)ethyl]naphthalene
CID 81294123
2-[1-bromo-2-(4-bromophenyl)ethyl]-5-chlorofuran
CID 106689779
4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene
CID 107993413
1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
CID 81307831
3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
CID 102836965

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene?
The IUPAC name of 1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene (CID 81308421) is 1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene.
What is the SMILES notation for 1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene?
The canonical SMILES for 1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene is Clc1cc(C(Br)Cc2ccc(Br)cc2)ccc1Br.
What is the InChIKey of 1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene?
The InChIKey is BARUTAPGLCTWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3Cl/c15-11-4-1-9(2-5-11)7-13(17)10-3-6-12(16)14(18)8-10/h1-6,8,13H,7H2.
What are the key properties of 1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene?
1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-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 1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene is sourced from PubChem (CID 81308421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).