3-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde

• ChemBase ID: 231552
• Molecular Formular: C17H17FO4
• Molecular Mass: 304.3128832
• Monoisotopic Mass: 304.11108724
• SMILES: c1(c(ccc(c1)C=O)OCCOc1ccc(F)cc1)OCC
• Canonical SMILES: CCOc1cc(C=O)ccc1OCCOc1ccc(cc1)F
• InChI: InChI=1S/C17H17FO4/c1-2-20-17-11-13(12-19)3-8-16(17)22-10-9-21-15-6-4-14(18)5-7-15/h3-8,11-12H,2,9-10H2,1H3
• InChIKey: OMYCFNNIOYJEEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde
• IUPAC Traditional name: 3-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde
• Synonyms: 3-Ethoxy-4-[2-(4-fluoro-phenoxy)-ethoxy]-benzaldehyde

Database IDs

• MDL Number: MFCD03973213
• PubChem SID: 164287462
• PubChem CID: 2415288

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5139651
• LogD (pH = 7.4): 3.5139651
• Log P: 3.5139651
• Molar Refractivity: 81.0856 cm^3
• Polarizability: 30.896809 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85 - 87°C
• Hydrophobicity(logP): 4.029

Product Information

• Purity: 95%