4-iodo-2-methoxyphenol

• ChemBase ID: 797534
• Molecular Formular: C7H7IO2
• Molecular Mass: 250.03375
• Monoisotopic Mass: 249.94907746
• SMILES: c1(c(cc(cc1)I)OC)O
• Canonical SMILES: COc1cc(I)ccc1O
• InChI: InChI=1S/C7H7IO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
• InChIKey: KJXYWMSTOWBZHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-iodo-2-methoxyphenol
• IUPAC Traditional name: 4-iodo-2-methoxyphenol
• Synonyms: 4-IODO-2-METHOXYPHENOL

Database IDs

• CAS Number: 203861-62-5

CALCULATED PROPERTIES

• Acid pKa: 9.5367365
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4409142
• LogD (pH = 7.4): 2.4378164
• Log P: 2.4409537
• Molar Refractivity: 47.8646 cm^3
• Polarizability: 18.714785 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%