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

• ChemBase ID: 195045
• Molecular Formular: C20H16O3
• Molecular Mass: 304.33924
• Monoisotopic Mass: 304.10994437
• SMILES: c1(c2c(oc(=O)c1CC)cc1c(c(co1)c1ccccc1)c2)C
• Canonical SMILES: CCc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1
• InChI: InChI=1S/C20H16O3/c1-3-14-12(2)15-9-16-17(13-7-5-4-6-8-13)11-22-18(16)10-19(15)23-20(14)21/h4-11H,3H2,1-2H3
• InChIKey: IEHUSGQEJVKRGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250955
• PubChem CID: 907051

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7292223
• LogD (pH = 7.4): 4.7292223
• Log P: 4.7292223
• Molar Refractivity: 88.766 cm^3
• Polarizability: 36.635536 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