2-(3-phenyl-1,2-oxazol-5-yl)phenol

• ChemBase ID: 311222
• Molecular Formular: C15H11NO2
• Molecular Mass: 237.25334
• Monoisotopic Mass: 237.0789786
• SMILES: c1(cc(no1)c1ccccc1)c1c(O)cccc1
• Canonical SMILES: Oc1ccccc1c1onc(c1)c1ccccc1
• InChI: InChI=1S/C15H11NO2/c17-14-9-5-4-8-12(14)15-10-13(16-18-15)11-6-2-1-3-7-11/h1-10,17H
• InChIKey: XWLIMTFPYMGWEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenyl-1,2-oxazol-5-yl)phenol
• IUPAC Traditional name: 2-(3-phenyl-1,2-oxazol-5-yl)phenol
• Synonyms: 2-(3-phenyl-5-isoxazolyl)phenol

Database IDs

• CAS Number: 67139-38-2
• MDL Number: MFCD01820980

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6342964
• LogD (pH = 7.4): 3.6166396
• Log P: 3.6345282
• Molar Refractivity: 69.2588 cm^3
• Polarizability: 28.920677 Å^3
• Polar Surface Area: 46.26 Å^2