2,4-dimethyl-7-(5-methylfuran-2-yl)-1-benzofuran

• ChemBase ID: 187431
• Molecular Formular: C15H14O2
• Molecular Mass: 226.27046
• Monoisotopic Mass: 226.09937969
• SMILES: c12c(c3oc(cc3)C)ccc(c1cc(o2)C)C
• Canonical SMILES: Cc1ccc(o1)c1ccc(c2c1oc(c2)C)C
• InChI: InChI=1S/C15H14O2/c1-9-4-6-12(14-7-5-10(2)16-14)15-13(9)8-11(3)17-15/h4-8H,1-3H3
• InChIKey: UVQOOQDAYOAGGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethyl-7-(5-methylfuran-2-yl)-1-benzofuran
• IUPAC Traditional name: 2,4-dimethyl-7-(5-methylfuran-2-yl)-1-benzofuran

Database IDs

• PubChem SID: 164243341
• PubChem CID: 933400

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7523851
• LogD (pH = 7.4): 3.7523851
• Log P: 3.7523851
• Molar Refractivity: 67.7668 cm^3
• Polarizability: 27.90531 Å^3
• Polar Surface Area: 26.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds