7-methoxy-1-benzofuran

• ChemBase ID: 7805
• Molecular Formular: C9H8O2
• Molecular Mass: 148.15862
• Monoisotopic Mass: 148.0524295
• SMILES: c12c(occ2)c(ccc1)OC
• Canonical SMILES: COc1cccc2c1occ2
• InChI: InChI=1S/C9H8O2/c1-10-8-4-2-3-7-5-6-11-9(7)8/h2-6H,1H3
• InChIKey: QPLLPLLBBSWRTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-1-benzofuran
• IUPAC Traditional name: 7-methoxy-1-benzofuran
• Synonyms: 7-Methoxybenzofuran

Database IDs

• CAS Number: 7168-85-6
• MDL Number: MFCD01310825
• PubChem SID: 160971112
• PubChem CID: 590462

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.974698
• LogD (pH = 7.4): 1.974698
• Log P: 1.974698
• Molar Refractivity: 41.3623 cm^3
• Polarizability: 17.241926 Å^3
• Polar Surface Area: 22.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%; 95+%