[2-(4-iodophenoxy)phenyl]methanol

• ChemBase ID: 272151
• Molecular Formular: C13H11IO2
• Molecular Mass: 326.12971
• Monoisotopic Mass: 325.98037759
• SMILES: c1(Oc2ccc(I)cc2)c(CO)cccc1
• Canonical SMILES: OCc1ccccc1Oc1ccc(cc1)I
• InChI: InChI=1S/C13H11IO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8,15H,9H2
• InChIKey: MZZAVJVDQDFIFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-iodophenoxy)phenyl]methanol
• IUPAC Traditional name: [2-(4-iodophenoxy)phenyl]methanol
• Synonyms: [2-(4-iodophenoxy)phenyl]methanol

Database IDs

• MDL Number: MFCD01814786
• PubChem SID: 164328061
• PubChem CID: 3740929

CALCULATED PROPERTIES

• Acid pKa: 14.66606
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6351278
• LogD (pH = 7.4): 3.6351278
• Log P: 3.6351278
• Molar Refractivity: 72.4772 cm^3
• Polarizability: 28.1647 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 67°C
• Hydrophobicity(logP): 4.325

Product Information

• Purity: 95%