4-(4-iodophenoxymethyl)-1,2-dimethoxybenzene

• ChemBase ID: 241060
• Molecular Formular: C15H15IO3
• Molecular Mass: 370.18227
• Monoisotopic Mass: 370.00659234
• SMILES: c1(c(ccc(c1)COc1ccc(I)cc1)OC)OC
• Canonical SMILES: COc1cc(COc2ccc(cc2)I)ccc1OC
• InChI: InChI=1S/C15H15IO3/c1-17-14-8-3-11(9-15(14)18-2)10-19-13-6-4-12(16)5-7-13/h3-9H,10H2,1-2H3
• InChIKey: PMCKWNINKFQNFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16386196
• PubChem SID: 164296970
• PubChem CID: 61400160

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.15365
• LogD (pH = 7.4): 4.15365
• Log P: 4.15365
• Molar Refractivity: 83.4227 cm^3
• Polarizability: 32.543877 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.75

Product Information

• Purity: 95%