methyl 2-[2-(benzyloxy)phenyl]acetate

• ChemBase ID: 812683
• Molecular Formular: C16H16O3
• Molecular Mass: 256.29644
• Monoisotopic Mass: 256.10994437
• SMILES: O(C(=O)Cc1c(cccc1)OCc1ccccc1)C
• Canonical SMILES: COC(=O)Cc1ccccc1OCc1ccccc1
• InChI: InChI=1S/C16H16O3/c1-18-16(17)11-14-9-5-6-10-15(14)19-12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
• InChIKey: CPIKEDMPXDEUED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[2-(benzyloxy)phenyl]acetate
• IUPAC Traditional name: methyl 2-[2-(benzyloxy)phenyl]acetate
• Synonyms: METHYL 2-(PHENYLMETHOXY)-BENZENEACETATE

Database IDs

• CAS Number: 40525-65-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.32369
• LogD (pH = 7.4): 3.32369
• Log P: 3.32369
• Molar Refractivity: 73.2105 cm^3
• Polarizability: 28.723328 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%