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

• ChemBase ID: 187373
• Molecular Formular: C20H16O3
• Molecular Mass: 304.33924
• Monoisotopic Mass: 304.10994437
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)occ2c1ccccc1
• Canonical SMILES: CCc1cc(=O)oc2c1cc1c(coc1c2C)c1ccccc1
• InChI: InChI=1S/C20H16O3/c1-3-13-9-18(21)23-20-12(2)19-16(10-15(13)20)17(11-22-19)14-7-5-4-6-8-14/h4-11H,3H2,1-2H3
• InChIKey: LPYJQJLYRMBYQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164243283
• PubChem CID: 707777

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.847093
• LogD (pH = 7.4): 4.847093
• Log P: 4.847093
• Molar Refractivity: 89.4501 cm^3
• Polarizability: 36.55478 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds