2,3,5,9-tetramethyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 197862
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c12c(c(c(o1)C)C)cc1c(c2C)oc(=O)cc1C
• Canonical SMILES: O=c1cc(C)c2c(o1)c(C)c1c(c2)c(c(o1)C)C
• InChI: InChI=1S/C15H14O3/c1-7-5-13(16)18-14-9(3)15-12(6-11(7)14)8(2)10(4)17-15/h5-6H,1-4H3
• InChIKey: DVOLAHSMUDBQNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,9-tetramethyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 2,3,5,9-tetramethylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164253772
• PubChem CID: 907615

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4682817
• LogD (pH = 7.4): 3.4682817
• Log P: 3.4682817
• Molar Refractivity: 69.9038 cm^3
• Polarizability: 27.20882 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds