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

• ChemBase ID: 186980
• Molecular Formular: C20H16O3
• Molecular Mass: 304.33924
• Monoisotopic Mass: 304.10994437
• SMILES: c12c(c(oc1cc1c(c(cc(=O)o1)CC)c2)C)c1ccccc1
• Canonical SMILES: CCc1cc(=O)oc2c1cc1c(c2)oc(c1c1ccccc1)C
• InChI: InChI=1S/C20H16O3/c1-3-13-9-19(21)23-17-11-18-16(10-15(13)17)20(12(2)22-18)14-7-5-4-6-8-14/h4-11H,3H2,1-2H3
• InChIKey: OURWAXSEHGSHNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242890
• PubChem CID: 707686

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.533233
• LogD (pH = 7.4): 4.533233
• Log P: 4.533233
• Molar Refractivity: 89.5586 cm^3
• Polarizability: 36.55211 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