4-[4-(acetyloxy)phenyl]phenyl acetate

• ChemBase ID: 295695
• Molecular Formular: C16H14O4
• Molecular Mass: 270.27996
• Monoisotopic Mass: 270.08920893
• SMILES: CC(=O)Oc1ccc(cc1)c1ccc(cc1)OC(=O)C
• Canonical SMILES: CC(=O)Oc1ccc(cc1)c1ccc(cc1)OC(=O)C
• InChI: InChI=1S/C16H14O4/c1-11(17)19-15-7-3-13(4-8-15)14-5-9-16(10-6-14)20-12(2)18/h3-10H,1-2H3
• InChIKey: RQMBBMQDXFZFCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(acetyloxy)phenyl]phenyl acetate
• IUPAC Traditional name: 4-[4-(acetyloxy)phenyl]phenyl acetate
• Synonyms: 4,4'-Diacetoxybiphenyl; 4,4'-双乙酰氧基联苯

Database IDs

• CAS Number: 32604-29-8
• MDL Number: MFCD00035973
• PubChem SID: 180681226
• PubChem CID: 604281

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: 30.121927 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162-165°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%