methyl 2-phenoxybenzoate

• ChemBase ID: 302398
• Molecular Formular: C14H12O3
• Molecular Mass: 228.24328
• Monoisotopic Mass: 228.07864424
• SMILES: COC(=O)c1ccccc1Oc1ccccc1
• Canonical SMILES: COC(=O)c1ccccc1Oc1ccccc1
• InChI: InChI=1S/C14H12O3/c1-16-14(15)12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h2-10H,1H3
• InChIKey: PUGYLBSXMKBSRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-phenoxybenzoate
• IUPAC Traditional name: methyl 2-phenoxybenzoate
• Synonyms: 2-Phenoxybenzoic acid methyl ester; Methyl 2-phenoxybenzoate; 2-苯氧基苯甲酸甲酯

Database IDs

• CAS Number: 21905-56-6
• EC Number: 000-000-0
• MDL Number: MFCD03093064
• Beilstein Number: 2115719

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.47701
• LogD (pH = 7.4): 3.47701
• Log P: 3.47701
• Molar Refractivity: 64.3241 cm^3
• Polarizability: 25.074665 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130°C/0.5mm
• Refractive Index: 1.5760

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%