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

• ChemBase ID: 231549
• Molecular Formular: C19H22O5
• Molecular Mass: 330.37498
• Monoisotopic Mass: 330.1467238
• SMILES: c1(c(ccc(c1)C=O)OCCOc1ccc(cc1)OCC)OCC
• Canonical SMILES: CCOc1cc(C=O)ccc1OCCOc1ccc(cc1)OCC
• InChI: InChI=1S/C19H22O5/c1-3-21-16-6-8-17(9-7-16)23-11-12-24-18-10-5-15(14-20)13-19(18)22-4-2/h5-10,13-14H,3-4,11-12H2,1-2H3
• InChIKey: SLDKSLKSXJVBBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03973206
• PubChem SID: 164287459
• PubChem CID: 2415267

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.5703998
• LogD (pH = 7.4): 3.5703998
• Log P: 3.5703998
• Molar Refractivity: 92.081 cm^3
• Polarizability: 35.57353 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.364

Product Information

• Purity: 95%