ethyl 2-(benzyloxy)acetate

• ChemBase ID: 267307
• Molecular Formular: C11H14O3
• Molecular Mass: 194.22706
• Monoisotopic Mass: 194.09429431
• SMILES: C(=O)(OCC)COCc1ccccc1
• Canonical SMILES: CCOC(=O)COCc1ccccc1
• InChI: InChI=1S/C11H14O3/c1-2-14-11(12)9-13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
• InChIKey: PHSWWKXTGAJPCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(benzyloxy)acetate
• IUPAC Traditional name: ethyl 2-(benzyloxy)acetate
• Synonyms: ethyl 2-(benzyloxy)acetate

Database IDs

• MDL Number: MFCD06204614
• PubChem SID: 164323217
• PubChem CID: 290299

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8297079
• LogD (pH = 7.4): 1.8297079
• Log P: 1.8297079
• Molar Refractivity: 53.2274 cm^3
• Polarizability: 20.988626 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.2

Product Information

• Purity: 95%