1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene

C13H8BrCl2I — CID 63444485

IUPAC1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene
SMILESClc1ccc(C(Br)c2ccccc2I)c(Cl)c1
InChIInChI=1S/C13H8BrCl2I/c14-13(10-3-1-2-4-12(10)17)9-6-5-8(15)7-11(9)16/h1-7,13H
InChIKeyYPKWUMHEJHMRKR-UHFFFAOYSA-N
MW441.92 g/mol
LogP6.08
Rot. Bonds2

About 1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene

1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene (PubChem CID 63444485) has the molecular formula C13H8BrCl2I and a molecular weight of 441.92 g/mol. Its IUPAC name is 1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene
PubChem CID63444485
Molecular FormulaC13H8BrCl2I
Molecular Weight441.92 g/mol
Exact Mass439.82
IUPAC Name1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene
SMILESClc1ccc(C(Br)c2ccccc2I)c(Cl)c1
InChIInChI=1S/C13H8BrCl2I/c14-13(10-3-1-2-4-12(10)17)9-6-5-8(15)7-11(9)16/h1-7,13H
InChIKeyYPKWUMHEJHMRKR-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.92
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 55198018
1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304158
1,4-dichloro-2-[chloro-(2-iodophenyl)methyl]benzene
CID 63436203
1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477492
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene
CID 63443899
1-bromo-4-[bromo-(2,4-dichlorophenyl)methyl]-2-chloro-5-fluorobenzene
CID 105400009
1-[bromo(phenyl)methyl]-2-iodobenzene
CID 63437081
1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443159
1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene
CID 81474218
2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene
CID 63444855
2-[bromo-(2-iodophenyl)methyl]-5-chlorothiophene
CID 63441740

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene (CID 63444485) is 1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene is Clc1ccc(C(Br)c2ccccc2I)c(Cl)c1.
What is the InChIKey of 1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene?
The InChIKey is YPKWUMHEJHMRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2I/c14-13(10-3-1-2-4-12(10)17)9-6-5-8(15)7-11(9)16/h1-7,13H.
What are the key properties of 1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene?
1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene has a molecular weight of 441.92 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene is sourced from PubChem (CID 63444485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).