1-(4-iodophenyl)ethan-1-ol

• ChemBase ID: 268833
• Molecular Formular: C8H9IO
• Molecular Mass: 248.06093
• Monoisotopic Mass: 247.96981291
• SMILES: c1(ccc(cc1)I)C(O)C
• Canonical SMILES: CC(c1ccc(cc1)I)O
• InChI: InChI=1S/C8H9IO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
• InChIKey: KWUDBZIJCVKUHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-iodophenyl)ethan-1-ol
• IUPAC Traditional name: 1-(4-iodophenyl)ethanol
• Synonyms: 1-(4-iodophenyl)ethan-1-ol

Database IDs

• MDL Number: MFCD00046636
• PubChem SID: 164324743
• PubChem CID: 11230395

CALCULATED PROPERTIES

• Acid pKa: 14.774347
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5514154
• LogD (pH = 7.4): 2.5514154
• Log P: 2.5514154
• Molar Refractivity: 50.6552 cm^3
• Polarizability: 19.756367 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 43 - 45°C
• Hydrophobicity(logP): 2.536

Product Information

• Purity: 95%