10-(2-methoxyphenyl)-4-methyl-2H,8H,9H,10H-pyrano[2,3-h]chromene-2,8-dione

• ChemBase ID: 227972
• Molecular Formular: C20H16O5
• Molecular Mass: 336.33804
• Monoisotopic Mass: 336.09977361
• SMILES: c12c3c(c(cc(=O)o3)C)ccc2OC(=O)CC1c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C1CC(=O)Oc2c1c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C20H16O5/c1-11-9-17(21)25-20-12(11)7-8-16-19(20)14(10-18(22)24-16)13-5-3-4-6-15(13)23-2/h3-9,14H,10H2,1-2H3
• InChIKey: HJQXHCGCMOEFLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-(2-methoxyphenyl)-4-methyl-2H,8H,9H,10H-pyrano[2,3-h]chromene-2,8-dione
• IUPAC Traditional name: 10-(2-methoxyphenyl)-4-methyl-9H,10H-pyrano[2,3-h]chromene-2,8-dione

Database IDs

• PubChem SID: 164283882
• PubChem CID: 71755091

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2588296
• LogD (pH = 7.4): 3.2588296
• Log P: 3.2588296
• Molar Refractivity: 91.3347 cm^3
• Polarizability: 35.19174 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds