ethyl 3-[4-(benzyloxy)phenyl]propanoate

• ChemBase ID: 82186
• Molecular Formular: C18H20O3
• Molecular Mass: 284.3496
• Monoisotopic Mass: 284.1412445
• SMILES: O=C(CCc1ccc(cc1)OCc1ccccc1)OCC
• Canonical SMILES: CCOC(=O)CCc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C18H20O3/c1-2-20-18(19)13-10-15-8-11-17(12-9-15)21-14-16-6-4-3-5-7-16/h3-9,11-12H,2,10,13-14H2,1H3
• InChIKey: GEPHVIQILXNGKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-[4-(benzyloxy)phenyl]propanoate
• IUPAC Traditional name: ethyl 3-[4-(benzyloxy)phenyl]propanoate
• Synonyms: ethyl 3-[4-(benzyloxy)phenyl]propanoate

Database IDs

• MDL Number: MFCD01570265
• PubChem SID: 162069305
• PubChem CID: 563839

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1250668
• LogD (pH = 7.4): 4.1250668
• Log P: 4.1250668
• Molar Refractivity: 82.5601 cm^3
• Polarizability: 32.412304 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true