2-benzofuran

• ChemBase ID: 127878
• Molecular Formular: C8H6O
• Molecular Mass: 118.13264
• Monoisotopic Mass: 118.04186481
• SMILES: o1cc2ccccc2c1
• Canonical SMILES: c1ccc2c(c1)coc2
• InChI: InChI=1S/C8H6O/c1-2-4-8-6-9-5-7(8)3-1/h1-6H
• InChIKey: UXGVMFHEKMGWMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzofuran
• IUPAC Traditional name: isobenzofuran
• Synonyms: 2-Oxa-2H-isoindene; Benzo[c]furan; Isobenzofuran

Database IDs

• CAS Number: 270-75-7
• PubChem SID: 162222195
• PubChem CID: 11378474
• CHEBI ID: 35261
• Chemspider ID: 9553388
• Wikipedia Title: Isobenzofuran

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.102968
• LogD (pH = 7.4): 2.102968
• Log P: 2.102968
• Molar Refractivity: 35.0216 cm^3
• Polarizability: 14.768909 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true