1-(4-iodophenoxymethyl)-2-methoxybenzene

• ChemBase ID: 241062
• Molecular Formular: C14H13IO2
• Molecular Mass: 340.15629
• Monoisotopic Mass: 339.99602766
• SMILES: c1(COc2ccc(I)cc2)c(OC)cccc1
• Canonical SMILES: COc1ccccc1COc1ccc(cc1)I
• InChI: InChI=1S/C14H13IO2/c1-16-14-5-3-2-4-11(14)10-17-13-8-6-12(15)7-9-13/h2-9H,10H2,1H3
• InChIKey: CFMXJIFIPWMCPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-iodophenoxymethyl)-2-methoxybenzene
• IUPAC Traditional name: 1-(4-iodophenoxymethyl)-2-methoxybenzene
• Synonyms: 1-(4-iodophenoxymethyl)-2-methoxybenzene

Database IDs

• MDL Number: MFCD19496704
• PubChem SID: 164296972
• PubChem CID: 63530786

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.311321
• LogD (pH = 7.4): 4.311321
• Log P: 4.311321
• Molar Refractivity: 76.9595 cm^3
• Polarizability: 29.98701 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.011

Product Information

• Purity: 95%