ethyl 2-[(4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetate

• ChemBase ID: 185098
• Molecular Formular: C19H16O6
• Molecular Mass: 340.32674
• Monoisotopic Mass: 340.09468823
• SMILES: c1(c(=O)c2c(oc1)cc(OCC(=O)OCC)cc2)Oc1ccccc1
• Canonical SMILES: CCOC(=O)COc1ccc2c(c1)occ(c2=O)Oc1ccccc1
• InChI: InChI=1S/C19H16O6/c1-2-22-18(20)12-23-14-8-9-15-16(10-14)24-11-17(19(15)21)25-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
• InChIKey: LCIOWKFVLJFHIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetate
• IUPAC Traditional name: ethyl 2-[(4-oxo-3-phenoxychromen-7-yl)oxy]acetate

Database IDs

• PubChem SID: 164241008
• PubChem CID: 680112

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0495229
• LogD (pH = 7.4): 3.0495229
• Log P: 3.0495229
• Molar Refractivity: 89.5809 cm^3
• Polarizability: 34.709084 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds