2-(4-ethoxyphenyl)acetaldehyde

• ChemBase ID: 109671
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: CCOc1ccc(CC=O)cc1
• Canonical SMILES: CCOc1ccc(cc1)CC=O
• InChI: InChI=1S/C10H12O2/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6,8H,2,7H2,1H3
• InChIKey: CFFUTUSXYUPKSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxyphenyl)acetaldehyde
• IUPAC Traditional name: 2-(4-ethoxyphenyl)acetaldehyde
• Synonyms: 4-ETHOXYPHENYLETHANONE

Database IDs

• PubChem SID: 162106335
• PubChem CID: 11321145

CALCULATED PROPERTIES

• Acid pKa: 14.878254
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6515145
• LogD (pH = 7.4): 1.6515145
• Log P: 1.6515145
• Molar Refractivity: 47.652 cm^3
• Polarizability: 18.438099 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true