2-phenylphenyl acetate

• ChemBase ID: 54965
• Molecular Formular: C14H12O2
• Molecular Mass: 212.24388
• Monoisotopic Mass: 212.08372962
• SMILES: c1cccc(c1)c1c(cccc1)OC(=O)C
• Canonical SMILES: CC(=O)Oc1ccccc1c1ccccc1
• InChI: InChI=1S/C14H12O2/c1-11(15)16-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10H,1H3
• InChIKey: UZUGIHHGLRFGMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylphenyl acetate
• IUPAC Traditional name: 2-phenylphenyl acetate
• Synonyms: [1,1'-Biphenyl]-2-yl acetate

Database IDs

• CAS Number: 3271-80-5
• MDL Number: MFCD00447698
• PubChem SID: 162059728
• PubChem CID: 232755

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2277322
• LogD (pH = 7.4): 3.2277322
• Log P: 3.2277322
• Molar Refractivity: 62.3266 cm^3
• Polarizability: 25.767689 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%