2-oxooxolan-3-yl 2,2-diphenylacetate

• ChemBase ID: 252816
• Molecular Formular: C18H16O4
• Molecular Mass: 296.31724
• Monoisotopic Mass: 296.10485899
• SMILES: C(=O)(OC1C(=O)OCC1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(C(c1ccccc1)c1ccccc1)OC1CCOC1=O
• InChI: InChI=1S/C18H16O4/c19-17-15(11-12-21-17)22-18(20)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
• InChIKey: AGUQXUUNUNQRNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxooxolan-3-yl 2,2-diphenylacetate
• IUPAC Traditional name: 2-oxooxolan-3-yl 2,2-diphenylacetate
• Synonyms: 2-oxotetrahydrofuran-3-yl diphenylacetate

Database IDs

• MDL Number: MFCD03979797
• PubChem SID: 164308726
• PubChem CID: 3920967

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1579468
• LogD (pH = 7.4): 3.1579468
• Log P: 3.1579468
• Molar Refractivity: 80.2996 cm^3
• Polarizability: 31.766914 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.248

Product Information

• Purity: 95%