4-(acetyloxy)-2-phenylphenyl acetate

• ChemBase ID: 295700
• Molecular Formular: C16H14O4
• Molecular Mass: 270.27996
• Monoisotopic Mass: 270.08920893
• SMILES: CC(=O)Oc1ccc(c(c1)c1ccccc1)OC(=O)C
• Canonical SMILES: CC(=O)Oc1ccc(c(c1)c1ccccc1)OC(=O)C
• InChI: InChI=1S/C16H14O4/c1-11(17)19-14-8-9-16(20-12(2)18)15(10-14)13-6-4-3-5-7-13/h3-10H,1-2H3
• InChIKey: DZVDHXPXHBVBNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(acetyloxy)-2-phenylphenyl acetate
• IUPAC Traditional name: 4-(acetyloxy)-2-phenylphenyl acetate
• Synonyms: Biphenyl-2,5-diol diacetate; 2,5-Diacetoxybiphenyl; Phenylhydroquinone diacetate; 苯基对苯二酚二乙酯

Database IDs

• CAS Number: 58244-28-3
• MDL Number: MFCD00145106
• Beilstein Number: 2383464
• PubChem SID: 180681231
• PubChem CID: 94584

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8349931
• LogD (pH = 7.4): 2.8349931
• Log P: 2.8349931
• Molar Refractivity: 73.459 cm^3
• Polarizability: 30.12957 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67-70°C

Safety Information

• RTECS: DV4795000
• TSCA Listed: 否

Product Information

• Purity: 98%