methyl 2-(benzyloxy)benzoate

• ChemBase ID: 295875
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: COC(=O)c1ccccc1OCc1ccccc1
• Canonical SMILES: COC(=O)c1ccccc1OCc1ccccc1
• InChI: InChI=1S/C15H14O3/c1-17-15(16)13-9-5-6-10-14(13)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
• InChIKey: FULHVBYAYSGTKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(benzyloxy)benzoate
• IUPAC Traditional name: methyl 2-(benzyloxy)benzoate
• Synonyms: 2-Benzyloxybenzoic acid methyl ester; Methyl 2-benzyloxybenzoate; 2-苯氧基苯甲酸甲酯

Database IDs

• CAS Number: 55142-16-0
• MDL Number: MFCD01099045
• PubChem SID: 180681406
• PubChem CID: 251331

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5435247
• LogD (pH = 7.4): 3.5435247
• Log P: 3.5435247
• Molar Refractivity: 69.1591 cm^3
• Polarizability: 26.855907 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-48°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%