1-(4-iodophenoxy)-2-methoxybenzene

• ChemBase ID: 75412
• Molecular Formular: C13H11IO2
• Molecular Mass: 326.12971
• Monoisotopic Mass: 325.98037759
• SMILES: O(c1ccccc1OC)c1ccc(cc1)I
• Canonical SMILES: COc1ccccc1Oc1ccc(cc1)I
• InChI: InChI=1S/C13H11IO2/c1-15-12-4-2-3-5-13(12)16-11-8-6-10(14)7-9-11/h2-9H,1H3
• InChIKey: FGVNCPWOQYKDHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-iodophenoxy)-2-methoxybenzene
• IUPAC Traditional name: 1-(4-iodophenoxy)-2-methoxybenzene
• Synonyms: 4-(2-Methoxyphenoxy)iodobenzene

Database IDs

• MDL Number: MFCD06796298
• PubChem SID: 162040330
• PubChem CID: 26369339

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2448063
• LogD (pH = 7.4): 4.2448063
• Log P: 4.2448063
• Molar Refractivity: 72.1245 cm^3
• Polarizability: 28.224056 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Light Sensitive