9-ethyl-2,3,4-trimethyl-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 187434
• Molecular Formular: C16H16O3
• Molecular Mass: 256.29644
• Monoisotopic Mass: 256.10994437
• SMILES: c12c3c(cc(=O)oc3cc(c2c(c(o1)C)C)C)CC
• Canonical SMILES: CCc1cc(=O)oc2c1c1oc(c(c1c(c2)C)C)C
• InChI: InChI=1S/C16H16O3/c1-5-11-7-13(17)19-12-6-8(2)14-9(3)10(4)18-16(14)15(11)12/h6-7H,5H2,1-4H3
• InChIKey: JSLIOIVNVIYIRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethyl-2,3,4-trimethyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 9-ethyl-2,3,4-trimethylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164243344
• PubChem CID: 707845

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9128504
• LogD (pH = 7.4): 3.9128504
• Log P: 3.9128504
• Molar Refractivity: 74.5048 cm^3
• Polarizability: 29.05347 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