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

• ChemBase ID: 306491
• Molecular Formular: C15H13ClO3
• Molecular Mass: 276.71492
• Monoisotopic Mass: 276.05532196
• SMILES: C(=O)(c1cc(Cl)ccc1)c1ccc(cc1)OCOC
• Canonical SMILES: COCOc1ccc(cc1)C(=O)c1cccc(c1)Cl
• InChI: InChI=1S/C15H13ClO3/c1-18-10-19-14-7-5-11(6-8-14)15(17)12-3-2-4-13(16)9-12/h2-9H,10H2,1H3
• InChIKey: WVZZHKAJJKAHHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 938458-66-3
• MDL Number: MFCD09055161

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9420977
• LogD (pH = 7.4): 3.9420977
• Log P: 3.9420977
• Molar Refractivity: 73.7545 cm^3
• Polarizability: 28.892889 Å^3
• Polar Surface Area: 35.53 Å^2