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

• ChemBase ID: 186136
• Molecular Formular: C14H12O3
• Molecular Mass: 228.24328
• Monoisotopic Mass: 228.07864424
• SMILES: c1(c2c(oc(=O)c1C)cc1c(c2)c(co1)C)C
• Canonical SMILES: O=c1oc2cc3occ(c3cc2c(c1C)C)C
• InChI: InChI=1S/C14H12O3/c1-7-6-16-12-5-13-11(4-10(7)12)8(2)9(3)14(15)17-13/h4-6H,1-3H3
• InChIKey: AKNNLKCBKRCSFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242046
• PubChem CID: 707705

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1508496
• LogD (pH = 7.4): 3.1508496
• Log P: 3.1508496
• Molar Refractivity: 64.07 cm^3
• Polarizability: 25.521006 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