[2-(methoxymethoxy)phenyl][3-(methoxymethoxy)phenyl]methanone

• ChemBase ID: 306494
• Molecular Formular: C17H18O5
• Molecular Mass: 302.32182
• Monoisotopic Mass: 302.11542368
• SMILES: C(=O)(c1c(OCOC)cccc1)c1cc(OCOC)ccc1
• Canonical SMILES: COCOc1cccc(c1)C(=O)c1ccccc1OCOC
• InChI: InChI=1S/C17H18O5/c1-19-11-21-14-7-5-6-13(10-14)17(18)15-8-3-4-9-16(15)22-12-20-2/h3-10H,11-12H2,1-2H3
• InChIKey: XLPHWRBBAFKJIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(methoxymethoxy)phenyl][3-(methoxymethoxy)phenyl]methanone
• IUPAC Traditional name: [2-(methoxymethoxy)phenyl][3-(methoxymethoxy)phenyl]methanone
• Synonyms: [2-(methoxymethoxy)phenyl][3-(methoxymethoxy)phenyl]methanone

Database IDs

• CAS Number: 938458-71-0
• MDL Number: MFCD09055164

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.2435071
• LogD (pH = 7.4): 3.2435071
• Log P: 3.2435071
• Molar Refractivity: 81.2659 cm^3
• Polarizability: 32.082703 Å^3
• Polar Surface Area: 53.99 Å^2