ethyl 3-[(4-methoxyphenyl)methoxy]propanoate

• ChemBase ID: 269500
• Molecular Formular: C13H18O4
• Molecular Mass: 238.27962
• Monoisotopic Mass: 238.12050906
• SMILES: C(=O)(CCOCc1ccc(cc1)OC)OCC
• Canonical SMILES: CCOC(=O)CCOCc1ccc(cc1)OC
• InChI: InChI=1S/C13H18O4/c1-3-17-13(14)8-9-16-10-11-4-6-12(15-2)7-5-11/h4-7H,3,8-10H2,1-2H3
• InChIKey: SDERCAFEELAFRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-[(4-methoxyphenyl)methoxy]propanoate
• IUPAC Traditional name: ethyl 3-[(4-methoxyphenyl)methoxy]propanoate
• Synonyms: ethyl 3-[(4-methoxyphenyl)methoxy]propanoate

Database IDs

• MDL Number: MFCD11652162
• PubChem SID: 164325410
• PubChem CID: 43174158

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9090494
• LogD (pH = 7.4): 1.9090494
• Log P: 1.9090494
• Molar Refractivity: 64.39 cm^3
• Polarizability: 25.356005 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.477

Product Information

• Purity: 95%