5-methoxy-3-phenyl-1-benzofuran

• ChemBase ID: 810738
• Molecular Formular: C15H12O2
• Molecular Mass: 224.25458
• Monoisotopic Mass: 224.08372962
• SMILES: o1cc(c2cc(ccc12)OC)c1ccccc1
• Canonical SMILES: COc1ccc2c(c1)c(co2)c1ccccc1
• InChI: InChI=1S/C15H12O2/c1-16-12-7-8-15-13(9-12)14(10-17-15)11-5-3-2-4-6-11/h2-10H,1H3
• InChIKey: IQVYQXHAXCWIAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-3-phenyl-1-benzofuran
• IUPAC Traditional name: 5-methoxy-3-phenyl-1-benzofuran
• Synonyms: 5-METHOXY-3-PHENYLBENZOFURAN

Database IDs

• CAS Number: 7196/5/6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6219232
• LogD (pH = 7.4): 3.6219232
• Log P: 3.6219232
• Molar Refractivity: 66.4985 cm^3
• Polarizability: 28.312195 Å^3
• Polar Surface Area: 22.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%