(2-iodo-3-methoxyphenyl)methanol

• ChemBase ID: 815627
• Molecular Formular: C8H9IO2
• Molecular Mass: 264.06033
• Monoisotopic Mass: 263.96472753
• SMILES: C(O)c1c(c(ccc1)OC)I
• Canonical SMILES: OCc1cccc(c1I)OC
• InChI: InChI=1S/C8H9IO2/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4,10H,5H2,1H3
• InChIKey: DBBAVUHQVGUYDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-iodo-3-methoxyphenyl)methanol
• IUPAC Traditional name: (2-iodo-3-methoxyphenyl)methanol
• Synonyms: (2-iodo-3-methoxyphenyl)methanol

Database IDs

• CAS Number: 162136-06-3

CALCULATED PROPERTIES

• Acid pKa: 14.742202
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9771693
• LogD (pH = 7.4): 1.9771693
• Log P: 1.9771693
• Molar Refractivity: 52.6996 cm^3
• Polarizability: 20.529545 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%