2,5,9-trimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 196686
• Molecular Formular: C20H16O3
• Molecular Mass: 304.33924
• Monoisotopic Mass: 304.10994437
• SMILES: c12c(c(c(o1)C)c1ccccc1)cc1c(c2C)oc(=O)cc1C
• Canonical SMILES: O=c1cc(C)c2c(o1)c(C)c1c(c2)c(c(o1)C)c1ccccc1
• InChI: InChI=1S/C20H16O3/c1-11-9-17(21)23-19-12(2)20-16(10-15(11)19)18(13(3)22-20)14-7-5-4-6-8-14/h4-10H,1-3H3
• InChIKey: CZELABGDACOIFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,9-trimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164252596
• PubChem CID: 907369

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6020856
• LogD (pH = 7.4): 4.6020856
• Log P: 4.6020856
• Molar Refractivity: 89.9988 cm^3
• Polarizability: 36.471447 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