7-(acetyloxy)-2-oxo-4-phenyl-2H-chromen-5-yl acetate

• ChemBase ID: 184377
• Molecular Formular: C19H14O6
• Molecular Mass: 338.31086
• Monoisotopic Mass: 338.07903817
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OC(=O)C)OC(=O)C)c1ccccc1
• Canonical SMILES: CC(=O)Oc1cc(OC(=O)C)cc2c1c(cc(=O)o2)c1ccccc1
• InChI: InChI=1S/C19H14O6/c1-11(20)23-14-8-16(24-12(2)21)19-15(13-6-4-3-5-7-13)10-18(22)25-17(19)9-14/h3-10H,1-2H3
• InChIKey: KOLTWCNKPWEBQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(acetyloxy)-2-oxo-4-phenyl-2H-chromen-5-yl acetate
• IUPAC Traditional name: 7-(acetyloxy)-2-oxo-4-phenylchromen-5-yl acetate

Database IDs

• PubChem SID: 164240287
• PubChem CID: 782951

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.43108
• LogD (pH = 7.4): 2.43108
• Log P: 2.43108
• Molar Refractivity: 97.3661 cm^3
• Polarizability: 34.168537 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds