methyl 4-[(phenoxycarbonyl)oxy]benzoate

• ChemBase ID: 253743
• Molecular Formular: C15H12O5
• Molecular Mass: 272.25278
• Monoisotopic Mass: 272.06847348
• SMILES: C(=O)(Oc1ccc(C(=O)OC)cc1)Oc1ccccc1
• Canonical SMILES: COC(=O)c1ccc(cc1)OC(=O)Oc1ccccc1
• InChI: InChI=1S/C15H12O5/c1-18-14(16)11-7-9-13(10-8-11)20-15(17)19-12-5-3-2-4-6-12/h2-10H,1H3
• InChIKey: OFTCZSGUKMVSON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-[(phenoxycarbonyl)oxy]benzoate
• IUPAC Traditional name: methyl 4-[(phenoxycarbonyl)oxy]benzoate
• Synonyms: methyl 4-[(phenoxycarbonyl)oxy]benzoate

Database IDs

• CAS Number: 17175-12-1
• MDL Number: MFCD09388776
• PubChem SID: 164309653
• PubChem CID: 607425

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8612332
• LogD (pH = 7.4): 3.8612332
• Log P: 3.8612332
• Molar Refractivity: 70.6169 cm^3
• Polarizability: 27.616873 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.669

Product Information

• Purity: 95%