ethyl (2R,3S)-3-[4-(propan-2-yloxy)phenyl]-2-propyloxirane-2-carboxylate

• ChemBase ID: 182633
• Molecular Formular: C17H24O4
• Molecular Mass: 292.37006
• Monoisotopic Mass: 292.16745925
• SMILES: [C@@]1(O[C@H]1c1ccc(OC(C)C)cc1)(C(=O)OCC)CCC
• Canonical SMILES: CCC[C@]1(O[C@H]1c1ccc(cc1)OC(C)C)C(=O)OCC
• InChI: InChI=1S/C17H24O4/c1-5-11-17(16(18)19-6-2)15(21-17)13-7-9-14(10-8-13)20-12(3)4/h7-10,12,15H,5-6,11H2,1-4H3/t15-,17+/m0/s1
• InChIKey: WMIGJGUVDFCQOU-DOTOQJQBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2R,3S)-3-[4-(propan-2-yloxy)phenyl]-2-propyloxirane-2-carboxylate
• IUPAC Traditional name: ethyl (2R,3S)-3-(4-isopropoxyphenyl)-2-propyloxirane-2-carboxylate

Database IDs

• PubChem SID: 164238543
• PubChem CID: 7075620

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9454749
• LogD (pH = 7.4): 3.9454749
• Log P: 3.9454749
• Molar Refractivity: 80.1428 cm^3
• Polarizability: 31.984632 Å^3
• Polar Surface Area: 48.06 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds