2-(4-ethoxybenzoyl)furan

• ChemBase ID: 312259
• Molecular Formular: C13H12O3
• Molecular Mass: 216.23258
• Monoisotopic Mass: 216.07864424
• SMILES: c1(C(=O)c2ccc(cc2)OCC)occc1
• Canonical SMILES: CCOc1ccc(cc1)C(=O)c1ccco1
• InChI: InChI=1S/C13H12O3/c1-2-15-11-7-5-10(6-8-11)13(14)12-4-3-9-16-12/h3-9H,2H2,1H3
• InChIKey: ITBMRCNTZQFPOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxybenzoyl)furan
• IUPAC Traditional name: 2-(4-ethoxybenzoyl)furan
• Synonyms: (4-ethoxyphenyl)(2-furyl)methanone

Database IDs

• CAS Number: 21493-98-1
• MDL Number: MFCD00094249

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6919823
• LogD (pH = 7.4): 2.6919823
• Log P: 2.6919823
• Molar Refractivity: 60.2362 cm^3
• Polarizability: 23.202797 Å^3
• Polar Surface Area: 39.44 Å^2