2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene

C14H12BrI — CID 102487480

IUPAC2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene
SMILESCc1cccc(-c2c(C)cccc2I)c1Br
InChIInChI=1S/C14H12BrI/c1-9-5-4-8-12(16)13(9)11-7-3-6-10(2)14(11)15/h3-8H,1-2H3
InChIKeyGPRYTPVKJSBUFD-UHFFFAOYSA-N
MW387.06 g/mol
LogP5.34
Rot. Bonds1

About 2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene

2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene (PubChem CID 102487480) has the molecular formula C14H12BrI and a molecular weight of 387.06 g/mol. Its IUPAC name is 2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene
PubChem CID102487480
Molecular FormulaC14H12BrI
Molecular Weight387.06 g/mol
Exact Mass385.92
IUPAC Name2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene
SMILESCc1cccc(-c2c(C)cccc2I)c1Br
InChIInChI=1S/C14H12BrI/c1-9-5-4-8-12(16)13(9)11-7-3-6-10(2)14(11)15/h3-8H,1-2H3
InChIKeyGPRYTPVKJSBUFD-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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Related Compounds

2-bromo-1-[2-(2-bromo-3-methylphenyl)phenyl]-3-methylbenzene
CID 147690466
2-(2,6-diiodophenyl)-1,3-diiodobenzene
CID 91384938
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
1-iodobiphenylene
CID 23220849
2,3-dibromo-5-methylnaphthalene-1,4-dione
CID 11759292
2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 10198261
3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107982879
1,3-diiodo-2-(4-methylphenyl)benzene
CID 23202442
3-bromo-1,2-diiodo-4-methylbenzene
CID 164606306
1-iodo-2,3-dimethylbenzene;1,2-xylene
CID 175003744
2-bromo-3-iodoaniline
CID 91873763

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene?
The IUPAC name of 2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene (CID 102487480) is 2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene.
What is the SMILES notation for 2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene?
The canonical SMILES for 2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene is Cc1cccc(-c2c(C)cccc2I)c1Br.
What is the InChIKey of 2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene?
The InChIKey is GPRYTPVKJSBUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrI/c1-9-5-4-8-12(16)13(9)11-7-3-6-10(2)14(11)15/h3-8H,1-2H3.
What are the key properties of 2-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene?
2-bromo-1-(2-iodo-6-methylphenyl)-3-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-bromo-1-(2-iodo-6-methylphenyl)-3-methylbenzene is sourced from PubChem (CID 102487480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).