methyl 2-(4-fluorophenoxy)propanoate

• ChemBase ID: 235046
• Molecular Formular: C10H11FO3
• Molecular Mass: 198.1909432
• Monoisotopic Mass: 198.06922243
• SMILES: C(=O)(C(Oc1ccc(F)cc1)C)OC
• Canonical SMILES: COC(=O)C(Oc1ccc(cc1)F)C
• InChI: InChI=1S/C10H11FO3/c1-7(10(12)13-2)14-9-5-3-8(11)4-6-9/h3-7H,1-2H3
• InChIKey: DKMKNUIKEKISMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(4-fluorophenoxy)propanoate
• IUPAC Traditional name: methyl 2-(4-fluorophenoxy)propanoate
• Synonyms: methyl 2-(4-fluorophenoxy)propanoate

Database IDs

• MDL Number: MFCD03945871
• PubChem SID: 164290956
• PubChem CID: 3304342

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.150918
• LogD (pH = 7.4): 2.150918
• Log P: 2.150918
• Molar Refractivity: 48.0852 cm^3
• Polarizability: 18.86728 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.271

Product Information

• Purity: 95%