1-(4-iodophenoxy)-4-methylbenzene

• ChemBase ID: 75415
• Molecular Formular: C13H11IO
• Molecular Mass: 310.13031
• Monoisotopic Mass: 309.98546297
• SMILES: O(c1ccc(cc1)C)c1ccc(cc1)I
• Canonical SMILES: Cc1ccc(cc1)Oc1ccc(cc1)I
• InChI: InChI=1S/C13H11IO/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,1H3
• InChIKey: VLFXLXIIUUXNFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-iodophenoxy)-4-methylbenzene
• IUPAC Traditional name: 1-(4-iodophenoxy)-4-methylbenzene
• Synonyms: 4-(4-Methylphenoxy)iodobenzene

Database IDs

• MDL Number: MFCD06796301
• PubChem SID: 162040333
• PubChem CID: 26369343

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.915899
• LogD (pH = 7.4): 4.915899
• Log P: 4.915899
• Molar Refractivity: 70.7025 cm^3
• Polarizability: 27.417685 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Light Sensitive