2-ethyl-1-benzofuran

• ChemBase ID: 287103
• Molecular Formular: C10H10O
• Molecular Mass: 146.1858
• Monoisotopic Mass: 146.07316494
• SMILES: CCc1cc2ccccc2o1
• Canonical SMILES: CCc1cc2c(o1)cccc2
• InChI: InChI=1S/C10H10O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3
• InChIKey: KJHYAEZMOHLVCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1-benzofuran
• IUPAC Traditional name: 2-ethyl-1-benzofuran
• Synonyms: 2-Ethylbenzofuran

Database IDs

• CAS Number: 3131-63-3
• PubChem SID: 180672634
• PubChem CID: 76582

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8544528
• LogD (pH = 7.4): 2.8544528
• Log P: 2.8544528
• Molar Refractivity: 44.5728 cm^3
• Polarizability: 18.378319 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%