2,5,6-trimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 187550
• Molecular Formular: C20H16O3
• Molecular Mass: 304.33924
• Monoisotopic Mass: 304.10994437
• SMILES: c12c(c(oc1cc1c(c(c(c(=O)o1)C)C)c2)C)c1ccccc1
• Canonical SMILES: Cc1oc2c(c1c1ccccc1)cc1c(c2)oc(=O)c(c1C)C
• InChI: InChI=1S/C20H16O3/c1-11-12(2)20(21)23-17-10-18-16(9-15(11)17)19(13(3)22-18)14-7-5-4-6-8-14/h4-10H,1-3H3
• InChIKey: SJFPUYUSNIMLCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,6-trimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 2,5,6-trimethyl-3-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164243460
• PubChem CID: 707682

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.484215
• LogD (pH = 7.4): 4.484215
• Log P: 4.484215
• Molar Refractivity: 89.3147 cm^3
• Polarizability: 36.552044 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds