4-ethenyl-2,3-dihydro-1-benzofuran

• ChemBase ID: 287979
• Molecular Formular: C10H10O
• Molecular Mass: 146.1858
• Monoisotopic Mass: 146.07316494
• SMILES: C=Cc1c2CCOc2ccc1
• Canonical SMILES: C=Cc1cccc2c1CCO2
• InChI: InChI=1S/C10H10O/c1-2-8-4-3-5-10-9(8)6-7-11-10/h2-5H,1,6-7H2
• InChIKey: WLZOPMPOGRQZCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenyl-2,3-dihydro-1-benzofuran
• IUPAC Traditional name: 4-ethenyl-2,3-dihydro-1-benzofuran
• Synonyms: 4-Vinyl-2,3-dihydrobenzofuran

Database IDs

• CAS Number: 230642-84-9
• PubChem SID: 180673510
• PubChem CID: 11446416

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5921652
• LogD (pH = 7.4): 2.5921652
• Log P: 2.5921652
• Molar Refractivity: 45.5171 cm^3
• Polarizability: 17.416513 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%