3-[4-(methoxymethoxy)benzoyl]pyridine

• ChemBase ID: 306484
• Molecular Formular: C14H13NO3
• Molecular Mass: 243.25792
• Monoisotopic Mass: 243.08954328
• SMILES: C(=O)(c1cnccc1)c1ccc(cc1)OCOC
• Canonical SMILES: COCOc1ccc(cc1)C(=O)c1cccnc1
• InChI: InChI=1S/C14H13NO3/c1-17-10-18-13-6-4-11(5-7-13)14(16)12-3-2-8-15-9-12/h2-9H,10H2,1H3
• InChIKey: PUHRWTMQUQEIEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 144824-63-5
• MDL Number: MFCD09055151

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1137972
• LogD (pH = 7.4): 2.120297
• Log P: 2.1203806
• Molar Refractivity: 66.7928 cm^3
• Polarizability: 26.127035 Å^3
• Polar Surface Area: 48.42 Å^2