8,8-dimethyl-2-oxo-4-phenyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl acetate

• ChemBase ID: 218604
• Molecular Formular: C22H20O5
• Molecular Mass: 364.3912
• Monoisotopic Mass: 364.13107374
• SMILES: c12c(cc(=O)oc1c1c(cc2OC(=O)C)OC(CC1)(C)C)c1ccccc1
• Canonical SMILES: CC(=O)Oc1cc2OC(C)(C)CCc2c2c1c(cc(=O)o2)c1ccccc1
• InChI: InChI=1S/C22H20O5/c1-13(23)25-18-12-17-15(9-10-22(2,3)27-17)21-20(18)16(11-19(24)26-21)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3
• InChIKey: LVGZTLGJOJNKII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8,8-dimethyl-2-oxo-4-phenyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl acetate
• IUPAC Traditional name: 8,8-dimethyl-2-oxo-4-phenyl-9H,10H-pyrano[2,3-h]chromen-5-yl acetate

Database IDs

• PubChem SID: 164274514
• PubChem CID: 12369682

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8477569
• LogD (pH = 7.4): 3.8477569
• Log P: 3.8477569
• Molar Refractivity: 109.6645 cm^3
• Polarizability: 38.79151 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds