1-iodo-2-[(2-iodophenyl)methyl]benzene

C13H10I2 — CID 597023

IUPAC1-iodo-2-[(2-iodophenyl)methyl]benzene
SMILESIc1ccccc1Cc1ccccc1I
InChIInChI=1S/C13H10I2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9H2
InChIKeyIXBZZPDYOUYBPE-UHFFFAOYSA-N
MW420.03 g/mol
LogP4.49
Rot. Bonds2

About 1-iodo-2-[(2-iodophenyl)methyl]benzene

1-iodo-2-[(2-iodophenyl)methyl]benzene (PubChem CID 597023) has the molecular formula C13H10I2 and a molecular weight of 420.03 g/mol. Its IUPAC name is 1-iodo-2-[(2-iodophenyl)methyl]benzene.

Molecular Properties

Compound Name1-iodo-2-[(2-iodophenyl)methyl]benzene
PubChem CID597023
Molecular FormulaC13H10I2
Molecular Weight420.03 g/mol
Exact Mass419.89
IUPAC Name1-iodo-2-[(2-iodophenyl)methyl]benzene
SMILESIc1ccccc1Cc1ccccc1I
InChIInChI=1S/C13H10I2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9H2
InChIKeyIXBZZPDYOUYBPE-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.03
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-iodo-2-[(2-iodophenyl)methyl]benzene 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 1-iodo-2-[(2-iodophenyl)methyl]benzene?
The IUPAC name of 1-iodo-2-[(2-iodophenyl)methyl]benzene (CID 597023) is 1-iodo-2-[(2-iodophenyl)methyl]benzene.
What is the SMILES notation for 1-iodo-2-[(2-iodophenyl)methyl]benzene?
The canonical SMILES for 1-iodo-2-[(2-iodophenyl)methyl]benzene is Ic1ccccc1Cc1ccccc1I.
What is the InChIKey of 1-iodo-2-[(2-iodophenyl)methyl]benzene?
The InChIKey is IXBZZPDYOUYBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10I2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9H2.
What are the key properties of 1-iodo-2-[(2-iodophenyl)methyl]benzene?
1-iodo-2-[(2-iodophenyl)methyl]benzene has a molecular weight of 420.03 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-[(2-iodophenyl)methyl]benzene is sourced from PubChem (CID 597023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).