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

• ChemBase ID: 186106
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c12c(oc(c1C)C)cc1c(c(cc(=O)o1)CC)c2
• Canonical SMILES: CCc1cc(=O)oc2c1cc1c(c2)oc(c1C)C
• InChI: InChI=1S/C15H14O3/c1-4-10-5-15(16)18-14-7-13-11(6-12(10)14)8(2)9(3)17-13/h5-7H,4H2,1-3H3
• InChIKey: GARBLMXFSNEPTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242016
• PubChem CID: 707698

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.399429
• LogD (pH = 7.4): 3.399429
• Log P: 3.399429
• Molar Refractivity: 69.4636 cm^3
• Polarizability: 27.285646 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