2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene

C14H12BrI — CID 90253719

IUPAC2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene
SMILESCc1ccc(Br)cc1-c1cc(I)ccc1C
InChIInChI=1S/C14H12BrI/c1-9-3-5-11(15)7-13(9)14-8-12(16)6-4-10(14)2/h3-8H,1-2H3
InChIKeyZXTFNCDYLIEYPY-UHFFFAOYSA-N
MW387.06 g/mol
LogP5.34
Rot. Bonds1

About 2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene

2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene (PubChem CID 90253719) has the molecular formula C14H12BrI and a molecular weight of 387.06 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene
PubChem CID90253719
Molecular FormulaC14H12BrI
Molecular Weight387.06 g/mol
Exact Mass385.92
IUPAC Name2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene
SMILESCc1ccc(Br)cc1-c1cc(I)ccc1C
InChIInChI=1S/C14H12BrI/c1-9-3-5-11(15)7-13(9)14-8-12(16)6-4-10(14)2/h3-8H,1-2H3
InChIKeyZXTFNCDYLIEYPY-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.06
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene (CID 90253719) is 2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene is Cc1ccc(Br)cc1-c1cc(I)ccc1C.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene?
The InChIKey is ZXTFNCDYLIEYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrI/c1-9-3-5-11(15)7-13(9)14-8-12(16)6-4-10(14)2/h3-8H,1-2H3.
What are the key properties of 2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene?
2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene has a molecular weight of 387.06 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-4-iodo-1-methylbenzene is sourced from PubChem (CID 90253719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).