ethyl 2-[4-(benzyloxy)phenoxy]acetate

• ChemBase ID: 77994
• Molecular Formular: C17H18O4
• Molecular Mass: 286.32242
• Monoisotopic Mass: 286.12050906
• SMILES: O(c1ccc(cc1)OCC(=O)OCC)Cc1ccccc1
• Canonical SMILES: CCOC(=O)COc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C17H18O4/c1-2-19-17(18)13-21-16-10-8-15(9-11-16)20-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
• InChIKey: MYSLHCQKSBLMAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[4-(benzyloxy)phenoxy]acetate
• IUPAC Traditional name: ethyl 2-[4-(benzyloxy)phenoxy]acetate
• Synonyms: Ethyl [4-(benzyloxy)phenoxy]acetate

Database IDs

• CAS Number: 142717-44-0
• PubChem SID: 162042830
• PubChem CID: 734886

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3630617
• LogD (pH = 7.4): 3.3630617
• Log P: 3.3630617
• Molar Refractivity: 79.1993 cm^3
• Polarizability: 31.240095 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant