1-[bromo(phenyl)methyl]-2-iodobenzene

C13H10BrI — CID 63437081

IUPAC1-[bromo(phenyl)methyl]-2-iodobenzene
SMILESBrC(c1ccccc1)c1ccccc1I
InChIInChI=1S/C13H10BrI/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15/h1-9,13H
InChIKeyCTZIYGUIIDRGOI-UHFFFAOYSA-N
MW373.03 g/mol
LogP4.78
Rot. Bonds2

About 1-[bromo(phenyl)methyl]-2-iodobenzene

1-[bromo(phenyl)methyl]-2-iodobenzene (PubChem CID 63437081) has the molecular formula C13H10BrI and a molecular weight of 373.03 g/mol. Its IUPAC name is 1-[bromo(phenyl)methyl]-2-iodobenzene.

Molecular Properties

Compound Name1-[bromo(phenyl)methyl]-2-iodobenzene
PubChem CID63437081
Molecular FormulaC13H10BrI
Molecular Weight373.03 g/mol
Exact Mass371.90
IUPAC Name1-[bromo(phenyl)methyl]-2-iodobenzene
SMILESBrC(c1ccccc1)c1ccccc1I
InChIInChI=1S/C13H10BrI/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15/h1-9,13H
InChIKeyCTZIYGUIIDRGOI-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.03
LogP ≤ 54.78
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

1-[bromo-(4-cyclohexylphenyl)methyl]-2-iodobenzene
CID 63440775
1-[bromo-(4-butylphenyl)methyl]-2-iodobenzene
CID 63440010
1-[bromo(phenyl)methyl]-2-methylbenzene
CID 12875470
4-[bromo-(2-iodophenyl)methyl]-1,2-diethylbenzene
CID 115482992
1-(1-bromo-2-phenylethyl)-2-iodobenzene
CID 63529217
2-[bromo(phenyl)methyl]benzonitrile
CID 13244726
2-[(S)-bromo(phenyl)methyl]benzoic acid
CID 99639138
1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene
CID 63444485
3-bromo-2-[bromo-(2-iodophenyl)methyl]thiophene
CID 80537168
2-[bromo-(2-iodophenyl)methyl]-5-chlorothiophene
CID 63441740
2-[bromo(phenyl)methyl]benzamide
CID 175221886
2-(2-iodophenyl)propanedioic acid
CID 172796761

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(phenyl)methyl]-2-iodobenzene?
The IUPAC name of 1-[bromo(phenyl)methyl]-2-iodobenzene (CID 63437081) is 1-[bromo(phenyl)methyl]-2-iodobenzene.
What is the SMILES notation for 1-[bromo(phenyl)methyl]-2-iodobenzene?
The canonical SMILES for 1-[bromo(phenyl)methyl]-2-iodobenzene is BrC(c1ccccc1)c1ccccc1I.
What is the InChIKey of 1-[bromo(phenyl)methyl]-2-iodobenzene?
The InChIKey is CTZIYGUIIDRGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrI/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15/h1-9,13H.
What are the key properties of 1-[bromo(phenyl)methyl]-2-iodobenzene?
1-[bromo(phenyl)methyl]-2-iodobenzene has a molecular weight of 373.03 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(phenyl)methyl]-2-iodobenzene is sourced from PubChem (CID 63437081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).