2,3,5,6-tetramethyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 186123
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c1(c2c(oc(=O)c1C)cc1c(c(c(o1)C)C)c2)C
• Canonical SMILES: Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
• InChI: InChI=1S/C15H14O3/c1-7-8(2)15(16)18-14-6-13-12(5-11(7)14)9(3)10(4)17-13/h5-6H,1-4H3
• InChIKey: WXJJMJBXWVJLTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetramethyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164242033
• PubChem CID: 707707

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3504107
• LogD (pH = 7.4): 3.350411
• Log P: 3.350411
• Molar Refractivity: 69.2197 cm^3
• Polarizability: 27.28556 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