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

• ChemBase ID: 194269
• Molecular Formular: C17H18O3
• Molecular Mass: 270.32302
• Monoisotopic Mass: 270.12559444
• SMILES: c12c(c(c(c(=O)o1)CC)C)cc1c(oc(c1C)C)c2C
• Canonical SMILES: CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
• InChI: InChI=1S/C17H18O3/c1-6-12-9(3)14-7-13-8(2)11(5)19-15(13)10(4)16(14)20-17(12)18/h7H,6H2,1-5H3
• InChIKey: HCUPMXUJJKTILU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-2,3,5,9-tetramethyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-ethyl-2,3,5,9-tetramethylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164250179
• PubChem CID: 906759

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3084006
• LogD (pH = 7.4): 4.308401
• Log P: 4.308401
• Molar Refractivity: 78.8619 cm^3
• Polarizability: 30.897291 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