[3,5-Bis(phenylmethoxy)phenyl]oxirane
Basic information
- CAS
50841-47-9- Standard SMILES
c1ccc(COc2cc(OCc3ccccc3)cc(C3CO3)c2)cc1- InChIKey
IXYYQIMVOHFSDN-UHFFFAOYSA-N- Molecular formula
- C22H20O3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.1412445
Names & identifiers
- Preferred name
- [3,5-Bis(phenylmethoxy)phenyl]oxirane
- IUPAC
- 2-[3,5-bis(phenylmethoxy)phenyl]oxirane
- English name
- 3,5-Dibenzyloxyphenyloxirane
- Molecular formula
- C22H20O3
- Molecular weight
- 332.39
Names & synonyms
[3,5-Bis(phenylmethoxy)phenyl]oxirane50841-47-92-[3,5-bis(phenylmethoxy)phenyl]oxiraneTerbutaline Impurity 342-[3,5-Bis(benzyloxy)phenyl]oxirane2-(3,5-bis(benzyloxy)phenyl)oxirane3,5-DibenzyloxyphenyloxiraneSCHEMBL10477669DTXSID90502407MFCD16251242SY483992DB-261948
Show more names
Terbutaline Impurity 45Terbutaline Impurity 33[3,5-Bis(benzyloxy)phenyl]oxiraneOxirane, 2-[3,5-bis(phenylmethoxy)phenyl]-Terbutaline Impurity 32/2-(3,5-bis(benzyloxy)phenyl)oxirane
Database identifiers
- CAS
50841-47-9- PubChem CID
- 12556361
- DTXSID
DTXSID90502407
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 31 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Melting point
- 40 · 40-44°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
UsesAn intermediate for the preparation of Terbutaline
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Related reactions
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Compound notes
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