1-(4-phenylphenoxy)propan-2-one

• ChemBase ID: 311835
• Molecular Formular: C15H14O2
• Molecular Mass: 226.27046
• Monoisotopic Mass: 226.09937969
• SMILES: c1(c2ccccc2)ccc(OCC(=O)C)cc1
• Canonical SMILES: CC(=O)COc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C15H14O2/c1-12(16)11-17-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
• InChIKey: TYMKZKHZVXYJPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenylphenoxy)propan-2-one
• IUPAC Traditional name: 1-(4-phenylphenoxy)propan-2-one
• Synonyms: 1-(biphenyl-4-yloxy)acetone

Database IDs

• CAS Number: 18859-38-6
• MDL Number: MFCD02969026

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2704086
• LogD (pH = 7.4): 3.2704086
• Log P: 3.2704086
• Molar Refractivity: 67.2931 cm^3
• Polarizability: 27.613312 Å^3
• Polar Surface Area: 26.3 Å^2