1-iodo-3,5-dimethoxybenzene

• ChemBase ID: 289877
• Molecular Formular: C8H9IO2
• Molecular Mass: 264.06033
• Monoisotopic Mass: 263.96472753
• SMILES: COc1cc(OC)cc(I)c1
• Canonical SMILES: COc1cc(OC)cc(c1)I
• InChI: InChI=1S/C8H9IO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
• InChIKey: MMOMUEFLZAHIAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-3,5-dimethoxybenzene
• IUPAC Traditional name: 1-iodo-3,5-dimethoxybenzene
• Synonyms: 1-Iodo-3,5-dimethoxybenzene

Database IDs

• CAS Number: 25245-27-6
• PubChem SID: 180675408
• PubChem CID: 640179

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5868478
• LogD (pH = 7.4): 2.5868478
• Log P: 2.5868478
• Molar Refractivity: 52.3469 cm^3
• Polarizability: 20.574057 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%