2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene

C15H13Br2I — CID 114033427

IUPAC2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(Br)c2cc(Br)ccc2I)c1
InChIInChI=1S/C15H13Br2I/c1-9-3-4-10(2)12(7-9)15(17)13-8-11(16)5-6-14(13)18/h3-8,15H,1-2H3
InChIKeyMWJARUOMADRASJ-UHFFFAOYSA-N
MW479.98 g/mol
LogP6.15
Rot. Bonds2

About 2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene

2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene (PubChem CID 114033427) has the molecular formula C15H13Br2I and a molecular weight of 479.98 g/mol. Its IUPAC name is 2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene
PubChem CID114033427
Molecular FormulaC15H13Br2I
Molecular Weight479.98 g/mol
Exact Mass477.84
IUPAC Name2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(Br)c2cc(Br)ccc2I)c1
InChIInChI=1S/C15H13Br2I/c1-9-3-4-10(2)12(7-9)15(17)13-8-11(16)5-6-14(13)18/h3-8,15H,1-2H3
InChIKeyMWJARUOMADRASJ-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.98
LogP ≤ 56.15
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'}

Analyze 2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[bromo-(2,5-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437609
1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene
CID 63442341
1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319646
1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene
CID 63441756
1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene
CID 107958460
(1S)-1-(5-bromo-2-iodophenyl)ethanamine
CID 130737837
2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene
CID 63442067
(2,4-dibromophenyl)-(2,5-dimethylphenyl)methanol
CID 114019435
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
2,7,9-tribromo-9-[bromo-(2,5-dimethylphenyl)methyl]fluorene
CID 10651210
5-bromo-6-[bromo-(2,5-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63447590
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene (CID 114033427) is 2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene is Cc1ccc(C)c(C(Br)c2cc(Br)ccc2I)c1.
What is the InChIKey of 2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene?
The InChIKey is MWJARUOMADRASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2I/c1-9-3-4-10(2)12(7-9)15(17)13-8-11(16)5-6-14(13)18/h3-8,15H,1-2H3.
What are the key properties of 2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene?
2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene has a molecular weight of 479.98 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene is sourced from PubChem (CID 114033427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).