[3-(methoxymethoxy)phenyl][4-(methoxymethoxy)phenyl]methanone

• ChemBase ID: 306497
• Molecular Formular: C17H18O5
• Molecular Mass: 302.32182
• Monoisotopic Mass: 302.11542368
• SMILES: C(=O)(c1cc(OCOC)ccc1)c1ccc(cc1)OCOC
• Canonical SMILES: COCOc1ccc(cc1)C(=O)c1cccc(c1)OCOC
• InChI: InChI=1S/C17H18O5/c1-19-11-21-15-8-6-13(7-9-15)17(18)14-4-3-5-16(10-14)22-12-20-2/h3-10H,11-12H2,1-2H3
• InChIKey: VAKYIJLNKUEYAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(methoxymethoxy)phenyl][4-(methoxymethoxy)phenyl]methanone
• IUPAC Traditional name: [3-(methoxymethoxy)phenyl][4-(methoxymethoxy)phenyl]methanone
• Synonyms: [3-(methoxymethoxy)phenyl][4-(methoxymethoxy)phenyl]methanone

Database IDs

• CAS Number: 263395-66-0
• MDL Number: MFCD09055167

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: 32.08052 Å^3
• Polar Surface Area: 53.99 Å^2