ethyl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetate

• ChemBase ID: 190197
• Molecular Formular: C19H16O5
• Molecular Mass: 324.32734
• Monoisotopic Mass: 324.09977361
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)OCC)cc2)c1ccccc1
• Canonical SMILES: CCOC(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(13-6-4-3-5-7-13)11-18(20)24-17(15)10-14/h3-11H,2,12H2,1H3
• InChIKey: PKOKMUJFGPGZJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetate
• IUPAC Traditional name: ethyl 2-[(2-oxo-4-phenylchromen-7-yl)oxy]acetate

Database IDs

• PubChem SID: 164246107
• PubChem CID: 2802808

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0395722
• LogD (pH = 7.4): 3.0395722
• Log P: 3.0395722
• Molar Refractivity: 97.1668 cm^3
• Polarizability: 34.094643 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds