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

• ChemBase ID: 186369
• Molecular Formular: C20H16O3
• Molecular Mass: 304.33924
• Monoisotopic Mass: 304.10994437
• SMILES: c12c(c(c(o1)C)C)cc1c(c2C)oc(=O)cc1c1ccccc1
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c(C)c1c(c2)c(c(o1)C)C
• InChI: InChI=1S/C20H16O3/c1-11-13(3)22-19-12(2)20-17(9-15(11)19)16(10-18(21)23-20)14-7-5-4-6-8-14/h4-10H,1-3H3
• InChIKey: WFDXRGHJILJSKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242279
• PubChem CID: 707731

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: 99.1745 cm^3
• Polarizability: 34.974678 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