2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene

C14H10I4 — CID 134171342

IUPAC2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene
SMILESCc1cc(I)c(-c2c(I)cc(C)cc2I)c(I)c1
InChIInChI=1S/C14H10I4/c1-7-3-9(15)13(10(16)4-7)14-11(17)5-8(2)6-12(14)18/h3-6H,1-2H3
InChIKeyKVUSQXHXJUPCLQ-UHFFFAOYSA-N
MW685.85 g/mol
LogP6.39
Rot. Bonds1

About 2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene

2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene (PubChem CID 134171342) has the molecular formula C14H10I4 and a molecular weight of 685.85 g/mol. Its IUPAC name is 2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene.

Molecular Properties

Compound Name2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene
PubChem CID134171342
Molecular FormulaC14H10I4
Molecular Weight685.85 g/mol
Exact Mass685.70
IUPAC Name2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene
SMILESCc1cc(I)c(-c2c(I)cc(C)cc2I)c(I)c1
InChIInChI=1S/C14H10I4/c1-7-3-9(15)13(10(16)4-7)14-11(17)5-8(2)6-12(14)18/h3-6H,1-2H3
InChIKeyKVUSQXHXJUPCLQ-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.85
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene?
The IUPAC name of 2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene (CID 134171342) is 2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene.
What is the SMILES notation for 2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene?
The canonical SMILES for 2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene is Cc1cc(I)c(-c2c(I)cc(C)cc2I)c(I)c1.
What is the InChIKey of 2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene?
The InChIKey is KVUSQXHXJUPCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10I4/c1-7-3-9(15)13(10(16)4-7)14-11(17)5-8(2)6-12(14)18/h3-6H,1-2H3.
What are the key properties of 2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene?
2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene has a molecular weight of 685.85 g/mol, XLogP of 6.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diiodo-4-methylphenyl)-1,3-diiodo-5-methylbenzene is sourced from PubChem (CID 134171342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).