1-iodo-4-(propan-2-yloxy)benzene

• ChemBase ID: 266377
• Molecular Formular: C9H11IO
• Molecular Mass: 262.08751
• Monoisotopic Mass: 261.98546297
• SMILES: O(c1ccc(I)cc1)C(C)C
• Canonical SMILES: CC(Oc1ccc(cc1)I)C
• InChI: InChI=1S/C9H11IO/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,1-2H3
• InChIKey: NULYQBMKXDZCNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-4-(propan-2-yloxy)benzene
• IUPAC Traditional name: 1-iodo-4-isopropoxybenzene
• Synonyms: 1-iodo-4-(propan-2-yloxy)benzene

Database IDs

• MDL Number: MFCD11183231
• PubChem SID: 164322287
• PubChem CID: 14785172

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.517902
• LogD (pH = 7.4): 3.517902
• Log P: 3.517902
• Molar Refractivity: 55.0511 cm^3
• Polarizability: 21.622221 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.162

Product Information

• Purity: 95%