3-methyl-5-propyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 186393
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: c12c(c(cc(=O)o1)CCC)cc1c(c2)occ1C
• Canonical SMILES: CCCc1cc(=O)oc2c1cc1c(C)coc1c2
• InChI: InChI=1S/C15H14O3/c1-3-4-10-5-15(16)18-14-7-13-11(6-12(10)14)9(2)8-17-13/h5-8H,3-4H2,1-2H3
• InChIKey: ZTTLXIGZQRLEOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-5-propyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 3-methyl-5-propylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164242303
• PubChem CID: 854704

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6444364
• LogD (pH = 7.4): 3.6444364
• Log P: 3.6444364
• Molar Refractivity: 68.9149 cm^3
• Polarizability: 27.36532 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds