2-(2-iodophenyl)propan-2-ol

• ChemBase ID: 65855
• Molecular Formular: C9H11IO
• Molecular Mass: 262.08751
• Monoisotopic Mass: 261.98546297
• SMILES: c1cccc(c1I)C(C)(C)O
• Canonical SMILES: Ic1ccccc1C(O)(C)C
• InChI: InChI=1S/C9H11IO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6,11H,1-2H3
• InChIKey: ZQDCRUZWIKKVEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-iodophenyl)propan-2-ol
• IUPAC Traditional name: 2-(2-iodophenyl)propan-2-ol
• Synonyms: 2-(2-Iodophenyl)propan-2-ol

Database IDs

• CAS Number: 69352-05-2
• MDL Number: MFCD21648250
• PubChem SID: 162031594
• PubChem CID: 11499908

CALCULATED PROPERTIES

• Acid pKa: 14.45292
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8319921
• LogD (pH = 7.4): 2.8319921
• Log P: 2.8319921
• Molar Refractivity: 55.2934 cm^3
• Polarizability: 21.566408 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%