bis[3-(methoxymethoxy)phenyl]methanone

• ChemBase ID: 306496
• Molecular Formular: C17H18O5
• Molecular Mass: 302.32182
• Monoisotopic Mass: 302.11542368
• SMILES: C(=O)(c1cc(OCOC)ccc1)c1cc(OCOC)ccc1
• Canonical SMILES: COCOc1cccc(c1)C(=O)c1cccc(c1)OCOC
• InChI: InChI=1S/C17H18O5/c1-19-11-21-15-7-3-5-13(9-15)17(18)14-6-4-8-16(10-14)22-12-20-2/h3-10H,11-12H2,1-2H3
• InChIKey: LEQQQLKZYUCMJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 938458-74-3
• MDL Number: MFCD09055166

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: 32.081005 Å^3
• Polar Surface Area: 53.99 Å^2