1,3-diiodo-2-(4-methylphenyl)benzene

C13H10I2 — CID 23202442

IUPAC1,3-diiodo-2-(4-methylphenyl)benzene
SMILESCc1ccc(-c2c(I)cccc2I)cc1
InChIInChI=1S/C13H10I2/c1-9-5-7-10(8-6-9)13-11(14)3-2-4-12(13)15/h2-8H,1H3
InChIKeyUDFLEPJJDXUYPT-UHFFFAOYSA-N
MW420.03 g/mol
LogP4.87
Rot. Bonds1

About 1,3-diiodo-2-(4-methylphenyl)benzene

1,3-diiodo-2-(4-methylphenyl)benzene (PubChem CID 23202442) has the molecular formula C13H10I2 and a molecular weight of 420.03 g/mol. Its IUPAC name is 1,3-diiodo-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1,3-diiodo-2-(4-methylphenyl)benzene
PubChem CID23202442
Molecular FormulaC13H10I2
Molecular Weight420.03 g/mol
Exact Mass419.89
IUPAC Name1,3-diiodo-2-(4-methylphenyl)benzene
SMILESCc1ccc(-c2c(I)cccc2I)cc1
InChIInChI=1S/C13H10I2/c1-9-5-7-10(8-6-9)13-11(14)3-2-4-12(13)15/h2-8H,1H3
InChIKeyUDFLEPJJDXUYPT-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.03
LogP ≤ 54.87
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 1,3-diiodo-2-(4-methylphenyl)benzene?
The IUPAC name of 1,3-diiodo-2-(4-methylphenyl)benzene (CID 23202442) is 1,3-diiodo-2-(4-methylphenyl)benzene.
What is the SMILES notation for 1,3-diiodo-2-(4-methylphenyl)benzene?
The canonical SMILES for 1,3-diiodo-2-(4-methylphenyl)benzene is Cc1ccc(-c2c(I)cccc2I)cc1.
What is the InChIKey of 1,3-diiodo-2-(4-methylphenyl)benzene?
The InChIKey is UDFLEPJJDXUYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10I2/c1-9-5-7-10(8-6-9)13-11(14)3-2-4-12(13)15/h2-8H,1H3.
What are the key properties of 1,3-diiodo-2-(4-methylphenyl)benzene?
1,3-diiodo-2-(4-methylphenyl)benzene has a molecular weight of 420.03 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diiodo-2-(4-methylphenyl)benzene is sourced from PubChem (CID 23202442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).