1,4-diiodobenzene

C6H4I2 — CID 12208

IUPAC1,4-diiodobenzene
SMILESIc1ccc(I)cc1
InChIInChI=1S/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKeyLFMWZTSOMGDDJU-UHFFFAOYSA-N
MW329.91 g/mol
LogP2.90
Rot. Bonds

About 1,4-diiodobenzene

1,4-diiodobenzene (PubChem CID 12208) has the molecular formula C6H4I2 and a molecular weight of 329.91 g/mol. Its IUPAC name is 1,4-diiodobenzene.

Molecular Properties

Compound Name1,4-diiodobenzene
PubChem CID12208
Molecular FormulaC6H4I2
Molecular Weight329.91 g/mol
Exact Mass329.84
IUPAC Name1,4-diiodobenzene
SMILESIc1ccc(I)cc1
InChIInChI=1S/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKeyLFMWZTSOMGDDJU-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.91
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4-diiodobenzene 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

Benzene
CID 241
Phenylmercuric Chloride
CID 7511
Fluorobenzene
CID 10008
Iodobenzene
CID 11575
Iodosylbenzene
CID 92125
Benzene-D6
CID 71601
Diphenyliodonium chloride
CID 73870
Phenylphosphine
CID 12519
Phenylmercuric hydroxide
CID 7512
Benzeneselenol
CID 69530
Trichlorophenylstannane
CID 14298
Phenyl mercuric bromide
CID 14509

Frequently Asked Questions

What is the IUPAC name of 1,4-diiodobenzene?
The IUPAC name of 1,4-diiodobenzene (CID 12208) is 1,4-diiodobenzene.
What is the SMILES notation for 1,4-diiodobenzene?
The canonical SMILES for 1,4-diiodobenzene is Ic1ccc(I)cc1.
What is the InChIKey of 1,4-diiodobenzene?
The InChIKey is LFMWZTSOMGDDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H.
What are the key properties of 1,4-diiodobenzene?
1,4-diiodobenzene has a molecular weight of 329.91 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diiodobenzene is sourced from PubChem (CID 12208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).