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

• ChemBase ID: 218930
• Molecular Formular: C23H22O5
• Molecular Mass: 378.41778
• Monoisotopic Mass: 378.1467238
• SMILES: c12c(cc(=O)oc1c1c(cc2OC(=O)CC)OC(CC1)(C)C)c1ccccc1
• Canonical SMILES: CCC(=O)Oc1cc2OC(C)(C)CCc2c2c1c(cc(=O)o2)c1ccccc1
• InChI: InChI=1S/C23H22O5/c1-4-19(24)26-18-13-17-15(10-11-23(2,3)28-17)22-21(18)16(12-20(25)27-22)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3
• InChIKey: ZNOCMZFLGYRJQR-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 propanoate
• IUPAC Traditional name: 8,8-dimethyl-2-oxo-4-phenyl-9H,10H-pyrano[2,3-h]chromen-5-yl propanoate

Database IDs

• PubChem SID: 164274840
• PubChem CID: 11851101

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.5482926
• LogD (pH = 7.4): 4.5482926
• Log P: 4.5482926
• Molar Refractivity: 114.2914 cm^3
• Polarizability: 40.63114 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds