((p-(Benzyloxy)phenoxy)methyl)oxirane

HCID 119882

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Basic information

CAS: 28150-30-3
Standard SMILES: c1ccc(COc2ccc(OCC3CO3)cc2)cc1
InChIKey: BYDXZYUGDXYSJY-UHFFFAOYSA-N
Molecular formula: C16H16O3
Average molar mass: 256.3 g/mol
Monoisotopic mass: 256.10994437

Names & identifiers

Preferred name: ((p-(Benzyloxy)phenoxy)methyl)oxirane
IUPAC: 2-[(4-phenylmethoxyphenoxy)methyl]oxirane
English name: [[p-(benzyloxy)phenoxy]methyl]oxirane
Molecular formula: C16H16O3
Molecular weight: 256.3

Names & synonyms

28150-30-32-((4-(benzyloxy)phenoxy)methyl)oxirane((p-(Benzyloxy)phenoxy)methyl)oxirane2-[(4-phenylmethoxyphenoxy)methyl]oxirane[[p-(benzyloxy)phenoxy]methyl]oxirane2-{[4-(benzyloxy)phenoxy]methyl}oxirane2-[[4-(Phenylmethoxy)phenoxy]methyl]-oxiraneEINECS 248-869-7starbld0008169SCHEMBL12286994-Benzyloxyphenyl glycidyl etherDTXSID40950898

Show more names

[[4-(Phenylmethoxy)phenoxy]methyl]oxiraneOxirane, 2-[[4-(phenylmethoxy)phenoxy]methyl]-

MFCD002255172-(4-benzyloxy-phenoxymethyl)-oxirane2-[(4-benzyloxyphenoxy)methyl]oxiraneAKOS0001434351-(4-benzyloxyphenoxy)-2,3-epoxypropane1-(p-benzyloxyphenoxy)-2,3-epoxypropaneDA-28889benzyl [4-(2,3-epoxypropoxy)phenyl]ether

Database identifiers

CAS: 28150-30-3
PubChem CID: 119882
DTXSID: DTXSID40950898
EC Number: 248-869-7
Nikkaji: J250.664E

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 31 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 255

Physicochemical properties

Melting point: 63 · 63-66 °C(Solv: hexane (110-54-3))
Boiling point: 404 · 404.0±20.0 °C(Predicted)
Density: 1.173 · 1.173±0.06 g/cm3(Predicted)

Chemistry & industry

Applications

Uses2-[[4-(Phenylmethoxy)phenoxy]methyl]-oxirane is a reagent used to prepare various adrenergic agents such as beta-adrenergic blokcing agents, β1-adrenoceptor ligands and β-adrenergic agonists.