7-ethoxy-3-phenyl-4H-chromen-4-one

• ChemBase ID: 200836
• Molecular Formular: C17H14O3
• Molecular Mass: 266.29126
• Monoisotopic Mass: 266.09429431
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)OCC)c1ccccc1
• Canonical SMILES: CCOc1ccc2c(c1)occ(c2=O)c1ccccc1
• InChI: InChI=1S/C17H14O3/c1-2-19-13-8-9-14-16(10-13)20-11-15(17(14)18)12-6-4-3-5-7-12/h3-11H,2H2,1H3
• InChIKey: MEIOIMGKPPMDKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethoxy-3-phenyl-4H-chromen-4-one
• IUPAC Traditional name: 7-ethoxy-3-phenylchromen-4-one

Database IDs

• PubChem SID: 164256746
• PubChem CID: 710554

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.536705
• LogD (pH = 7.4): 3.536705
• Log P: 3.536705
• Molar Refractivity: 76.952 cm^3
• Polarizability: 29.627855 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds