2,4-dichloro-1-(4-iodophenoxymethyl)benzene

• ChemBase ID: 239537
• Molecular Formular: C13H9Cl2IO
• Molecular Mass: 379.02043
• Monoisotopic Mass: 377.90751827
• SMILES: c1(c(COc2ccc(I)cc2)ccc(c1)Cl)Cl
• Canonical SMILES: Ic1ccc(cc1)OCc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C13H9Cl2IO/c14-10-2-1-9(13(15)7-10)8-17-12-5-3-11(16)4-6-12/h1-7H,8H2
• InChIKey: WHQSHHWVUQSSLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19444469
• PubChem SID: 164295447
• PubChem CID: 60627525

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.6770816
• LogD (pH = 7.4): 5.6770816
• Log P: 5.6770816
• Molar Refractivity: 80.1059 cm^3
• Polarizability: 31.343204 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.518

Product Information

• Purity: 95%