[4-(hydroxymethyl)-2,5-diiodophenyl]methanol

• ChemBase ID: 274316
• Molecular Formular: C8H8I2O2
• Molecular Mass: 389.95686
• Monoisotopic Mass: 389.8613755
• SMILES: c1(c(cc(c(c1)I)CO)I)CO
• Canonical SMILES: OCc1cc(I)c(cc1I)CO
• InChI: InChI=1S/C8H8I2O2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-2,11-12H,3-4H2
• InChIKey: SLUXZDFEDICPMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(hydroxymethyl)-2,5-diiodophenyl]methanol
• IUPAC Traditional name: [4-(hydroxymethyl)-2,5-diiodophenyl]methanol
• Synonyms: [4-(hydroxymethyl)-2,5-diiodophenyl]methanol

Database IDs

• MDL Number: MFCD18838777
• PubChem SID: 164330226
• PubChem CID: 11964073

CALCULATED PROPERTIES

• Acid pKa: 14.403826
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2964354
• LogD (pH = 7.4): 2.296435
• Log P: 2.2964354
• Molar Refractivity: 66.4148 cm^3
• Polarizability: 25.961155 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218 - 220°C
• Hydrophobicity(logP): 1.712

Product Information

• Purity: 95%