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

• ChemBase ID: 194251
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c1(c2c(oc(=O)c1CC)cc1c(c2)c(co1)C)C
• Canonical SMILES: CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C
• InChI: InChI=1S/C15H14O3/c1-4-10-9(3)12-5-11-8(2)7-17-13(11)6-14(12)18-15(10)16/h5-7H,4H2,1-3H3
• InChIKey: BRHLWVHMGODCDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250161
• PubChem CID: 906751

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5954182
• LogD (pH = 7.4): 3.5954182
• Log P: 3.5954182
• Molar Refractivity: 68.671 cm^3
• Polarizability: 27.365215 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