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

• ChemBase ID: 187328
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c12c3c(cc(=O)oc3cc(c1c(co2)C)C)CC
• Canonical SMILES: CCc1cc(=O)oc2c1c1occ(c1c(c2)C)C
• InChI: InChI=1S/C15H14O3/c1-4-10-6-12(16)18-11-5-8(2)13-9(3)7-17-15(13)14(10)11/h5-7H,4H2,1-3H3
• InChIKey: IACNASFEBFIQKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164243238
• PubChem CID: 707842

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.713289
• LogD (pH = 7.4): 3.713289
• Log P: 3.713289
• Molar Refractivity: 69.3551 cm^3
• Polarizability: 27.28894 Å^3
• Polar Surface Area: 39.44 Å^2

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds