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

• ChemBase ID: 194175
• Molecular Formular: C16H16O3
• Molecular Mass: 256.29644
• Monoisotopic Mass: 256.10994437
• SMILES: c1(c2c(oc(=O)c1CC)cc1c(c(c(o1)C)C)c2)C
• Canonical SMILES: CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
• InChI: InChI=1S/C16H16O3/c1-5-11-9(3)13-6-12-8(2)10(4)18-14(12)7-15(13)19-16(11)17/h6-7H,5H2,1-4H3
• InChIKey: USSZROTZVDHBKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250085
• PubChem CID: 906724

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7949796
• LogD (pH = 7.4): 3.7949796
• Log P: 3.7949796
• Molar Refractivity: 73.8207 cm^3
• Polarizability: 29.129913 Å^3
• Polar Surface Area: 39.44 Å^2

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds