ethyl 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

• ChemBase ID: 183821
• Molecular Formular: C15H16O5
• Molecular Mass: 276.28454
• Monoisotopic Mass: 276.09977361
• SMILES: c12oc(=O)cc(c1ccc(c2)OC(C(=O)OCC)C)C
• Canonical SMILES: CCOC(=O)C(Oc1ccc2c(c1)oc(=O)cc2C)C
• InChI: InChI=1S/C15H16O5/c1-4-18-15(17)10(3)19-11-5-6-12-9(2)7-14(16)20-13(12)8-11/h5-8,10H,4H2,1-3H3
• InChIKey: YXBHWZYFNLJVNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoate
• IUPAC Traditional name: ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxy]propanoate

Database IDs

• PubChem SID: 164239731
• PubChem CID: 2817963

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4745326
• LogD (pH = 7.4): 2.4745326
• Log P: 2.4745326
• Molar Refractivity: 72.39 cm^3
• Polarizability: 28.217018 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds