7-ethoxy-2-methyl-3-phenoxy-4H-chromen-4-one

• ChemBase ID: 183721
• Molecular Formular: C18H16O4
• Molecular Mass: 296.31724
• Monoisotopic Mass: 296.10485899
• SMILES: c1(c(=O)c2c(oc1C)cc(cc2)OCC)Oc1ccccc1
• Canonical SMILES: CCOc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C
• InChI: InChI=1S/C18H16O4/c1-3-20-14-9-10-15-16(11-14)21-12(2)18(17(15)19)22-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
• InChIKey: ROYUOWKZRVTOEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethoxy-2-methyl-3-phenoxy-4H-chromen-4-one
• IUPAC Traditional name: 7-ethoxy-2-methyl-3-phenoxychromen-4-one

Database IDs

• PubChem SID: 164239631
• PubChem CID: 780343

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6277182
• LogD (pH = 7.4): 3.6277182
• Log P: 3.6277182
• Molar Refractivity: 84.5463 cm^3
• Polarizability: 32.072327 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds