1-(1-bromo-2-phenylethyl)-2-iodobenzene

C14H12BrI — CID 63529217

IUPAC1-(1-bromo-2-phenylethyl)-2-iodobenzene
SMILESBrC(Cc1ccccc1)c1ccccc1I
InChIInChI=1S/C14H12BrI/c15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)16/h1-9,13H,10H2
InChIKeyUFTYGTOBZUMLOD-UHFFFAOYSA-N
MW387.06 g/mol
LogP4.97
Rot. Bonds3

About 1-(1-bromo-2-phenylethyl)-2-iodobenzene

1-(1-bromo-2-phenylethyl)-2-iodobenzene (PubChem CID 63529217) has the molecular formula C14H12BrI and a molecular weight of 387.06 g/mol. Its IUPAC name is 1-(1-bromo-2-phenylethyl)-2-iodobenzene.

Molecular Properties

Compound Name1-(1-bromo-2-phenylethyl)-2-iodobenzene
PubChem CID63529217
Molecular FormulaC14H12BrI
Molecular Weight387.06 g/mol
Exact Mass385.92
IUPAC Name1-(1-bromo-2-phenylethyl)-2-iodobenzene
SMILESBrC(Cc1ccccc1)c1ccccc1I
InChIInChI=1S/C14H12BrI/c15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)16/h1-9,13H,10H2
InChIKeyUFTYGTOBZUMLOD-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.06
LogP ≤ 54.97
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-(1-bromo-2-phenylethyl)-2-methylbenzene
CID 63529712
1-(1-bromo-2-phenylethyl)-2-methoxybenzene
CID 63017425
1-(1-bromo-2-phenylethyl)-2-methylsulfanylbenzene
CID 79206101
2-(4-bromophenyl)-1-(2-iodophenyl)ethanol
CID 63016179
2-bromo-3-phenylpropanethioamide
CID 142775087
4-(1-bromo-2-phenylethyl)-2-iodothiophene
CID 79692130
1-(2-iodophenyl)-3-phenylpropan-1-ol
CID 14918705
(1R)-1-bromo-2-phenylethanamine
CID 164702405
[(2R)-2-fluoro-2-iodoethyl]benzene
CID 124672761
2-[(1R)-1-bromo-2-phenylethyl]pyridine
CID 124909068
2-bromo-5-(1-bromo-2-phenylethyl)furan
CID 63018566
4-bromo-1-(1-bromo-2-phenylethyl)-2-(trifluoromethyl)benzene
CID 107333507

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-phenylethyl)-2-iodobenzene?
The IUPAC name of 1-(1-bromo-2-phenylethyl)-2-iodobenzene (CID 63529217) is 1-(1-bromo-2-phenylethyl)-2-iodobenzene.
What is the SMILES notation for 1-(1-bromo-2-phenylethyl)-2-iodobenzene?
The canonical SMILES for 1-(1-bromo-2-phenylethyl)-2-iodobenzene is BrC(Cc1ccccc1)c1ccccc1I.
What is the InChIKey of 1-(1-bromo-2-phenylethyl)-2-iodobenzene?
The InChIKey is UFTYGTOBZUMLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrI/c15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)16/h1-9,13H,10H2.
What are the key properties of 1-(1-bromo-2-phenylethyl)-2-iodobenzene?
1-(1-bromo-2-phenylethyl)-2-iodobenzene has a molecular weight of 387.06 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-phenylethyl)-2-iodobenzene is sourced from PubChem (CID 63529217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).