(4-chlorophenyl)[2-(methoxymethoxy)phenyl]methanone

• ChemBase ID: 306492
• Molecular Formular: C15H13ClO3
• Molecular Mass: 276.71492
• Monoisotopic Mass: 276.05532196
• SMILES: C(=O)(c1c(OCOC)cccc1)c1ccc(cc1)Cl
• Canonical SMILES: COCOc1ccccc1C(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C15H13ClO3/c1-18-10-19-14-5-3-2-4-13(14)15(17)11-6-8-12(16)9-7-11/h2-9H,10H2,1H3
• InChIKey: SJTYYFAJJBUURN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)[2-(methoxymethoxy)phenyl]methanone
• IUPAC Traditional name: (4-chlorophenyl)[2-(methoxymethoxy)phenyl]methanone
• Synonyms: (4-chlorophenyl)[2-(methoxymethoxy)phenyl]methanone

Database IDs

• CAS Number: 938458-68-5
• MDL Number: MFCD09055162

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: 28.897774 Å^3
• Polar Surface Area: 35.53 Å^2