1,2-diiodo-4,5-dimethoxybenzene

• ChemBase ID: 16032
• Molecular Formular: C8H8I2O2
• Molecular Mass: 389.95686
• Monoisotopic Mass: 389.8613755
• SMILES: c1(c(cc(c(c1)OC)OC)I)I
• Canonical SMILES: COc1cc(I)c(cc1OC)I
• InChI: InChI=1S/C8H8I2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
• InChIKey: FFMFMRCSTBQCTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diiodo-4,5-dimethoxybenzene
• IUPAC Traditional name: 1,2-diiodo-4,5-dimethoxybenzene
• Synonyms: 4,5-Diodoveratrole

Database IDs

• CAS Number: 110190-08-4
• MDL Number: MFCD00094489
• PubChem SID: 160979339
• PubChem CID: 4093342

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5157921
• LogD (pH = 7.4): 3.5157921
• Log P: 3.5157921
• Molar Refractivity: 65.7094 cm^3
• Polarizability: 26.073648 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%