1-(5-phenylfuran-2-yl)ethan-1-one

• ChemBase ID: 237038
• Molecular Formular: C12H10O2
• Molecular Mass: 186.2066
• Monoisotopic Mass: 186.06807956
• SMILES: o1c(ccc1c1ccccc1)C(=O)C
• Canonical SMILES: CC(=O)c1ccc(o1)c1ccccc1
• InChI: InChI=1S/C12H10O2/c1-9(13)11-7-8-12(14-11)10-5-3-2-4-6-10/h2-8H,1H3
• InChIKey: KGDNMWUNJUYUPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-phenylfuran-2-yl)ethan-1-one
• IUPAC Traditional name: 1-(5-phenylfuran-2-yl)ethanone
• Synonyms: 1-(5-phenylfuran-2-yl)ethan-1-one

Database IDs

• MDL Number: MFCD10034481
• PubChem SID: 164292948
• PubChem CID: 19760893

CALCULATED PROPERTIES

• Polarizability: 21.916758 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.491248
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1583664
• LogD (pH = 7.4): 2.1583664
• Log P: 2.1583664
• Molar Refractivity: 53.8654 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.855

Product Information

• Purity: 95%