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

• ChemBase ID: 193948
• Molecular Formular: C16H16O3
• Molecular Mass: 256.29644
• Monoisotopic Mass: 256.10994437
• SMILES: c12c(c(c(c(=O)o1)CC)C)cc1c(c2C)occ1C
• Canonical SMILES: CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C
• InChI: InChI=1S/C16H16O3/c1-5-11-9(3)13-6-12-8(2)7-18-14(12)10(4)15(13)19-16(11)17/h6-7H,5H2,1-4H3
• InChIKey: MWESQMZKEYCHJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249858
• PubChem CID: 719087

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1088395
• LogD (pH = 7.4): 4.1088395
• Log P: 4.1088395
• Molar Refractivity: 73.7122 cm^3
• Polarizability: 29.13262 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