3-methoxy-4-(2-phenoxyethoxy)benzaldehyde

• ChemBase ID: 311231
• Molecular Formular: C16H16O4
• Molecular Mass: 272.29584
• Monoisotopic Mass: 272.10485899
• SMILES: c1(c(ccc(c1)C=O)OCCOc1ccccc1)OC
• Canonical SMILES: COc1cc(C=O)ccc1OCCOc1ccccc1
• InChI: InChI=1S/C16H16O4/c1-18-16-11-13(12-17)7-8-15(16)20-10-9-19-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3
• InChIKey: LNQIKBGBWCHRFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-4-(2-phenoxyethoxy)benzaldehyde
• IUPAC Traditional name: 3-methoxy-4-(2-phenoxyethoxy)benzaldehyde
• Synonyms: 3-methoxy-4-(2-phenoxyethoxy)benzaldehyde

Database IDs

• CAS Number: 299936-09-7
• MDL Number: MFCD01591730

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0144553
• LogD (pH = 7.4): 3.0144553
• Log P: 3.0144553
• Molar Refractivity: 76.1206 cm^3
• Polarizability: 29.370762 Å^3
• Polar Surface Area: 44.76 Å^2