4-methylphenyl 2-(acetyloxy)benzoate

• ChemBase ID: 158986
• Molecular Formular: C16H14O4
• Molecular Mass: 270.27996
• Monoisotopic Mass: 270.08920893
• SMILES: c1cccc(c1C(=O)Oc1ccc(cc1)C)OC(=O)C
• Canonical SMILES: CC(=O)Oc1ccccc1C(=O)Oc1ccc(cc1)C
• InChI: InChI=1S/C16H14O4/c1-11-7-9-13(10-8-11)20-16(18)14-5-3-4-6-15(14)19-12(2)17/h3-10H,1-2H3
• InChIKey: OVCAYJKPOSDRMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylphenyl 2-(acetyloxy)benzoate
• IUPAC Traditional name: 4-methylphenyl 2-(acetyloxy)benzoate
• Synonyms: 4-Methylphenyl 2-(Acetyloxy)benzoate; 2-(Acetyloxy)benzoic Acid 4-Methylphenyl Ester

Database IDs

• CAS Number: 52602-10-5
• PubChem SID: 162253121
• PubChem CID: 71312764

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7553637
• LogD (pH = 7.4): 3.7553637
• Log P: 3.7553637
• Molar Refractivity: 74.0345 cm^3
• Polarizability: 28.672342 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: White Solid