methyl 2-phenoxypropanoate

• ChemBase ID: 83443
• Molecular Formular: C10H12O3
• Molecular Mass: 180.20048
• Monoisotopic Mass: 180.07864424
• SMILES: O(c1ccccc1)C(C(=O)OC)C
• Canonical SMILES: COC(=O)C(Oc1ccccc1)C
• InChI: InChI=1S/C10H12O3/c1-8(10(11)12-2)13-9-6-4-3-5-7-9/h3-8H,1-2H3
• InChIKey: KIBRBMKSBVQDMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-phenoxypropanoate
• IUPAC Traditional name: methyl 2-phenoxypropanoate
• Synonyms: methyl 2-phenoxypropanoate

Database IDs

• MDL Number: MFCD00101208
• PubChem SID: 162070561
• PubChem CID: 348838

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0082161
• LogD (pH = 7.4): 2.0082161
• Log P: 2.0082161
• Molar Refractivity: 47.8688 cm^3
• Polarizability: 19.139076 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true