alpha-Morpholinoacetoxy-4-hydroxy-3-methoxyacetophenone
Basic information
- CAS
19779-55-6- Standard SMILES
COc1cc(C(=O)COC(=O)CN2CCOCC2)ccc1O- InChIKey
VLZUHNAJSYDBKG-UHFFFAOYSA-N- Molecular formula
- C15H19NO6
- Average molar mass
- 309.31 g/mol
- Monoisotopic mass
- 309.12123733
Names & identifiers
- Preferred name
- alpha-Morpholinoacetoxy-4-hydroxy-3-methoxyacetophenone
- IUPAC
- [2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl] 2-morpholin-4-ylacetate
- English name
- [2-(4-hydroxy-3-methoxy-phenyl)-2-oxo-ethyl] 2-morpholin-4-ylacetate
- Molecular formula
- C15H19NO6
- Molecular weight
- 309.31
Names & synonyms
19779-55-6BRN 1020976alpha-Morpholinoacetoxy-4-hydroxy-3-methoxyacetophenoneDTXSID701734724-Morpholineacetic acid, 2-ester with 2,4'-dihydroxy-3'-methoxyacetophenoneRefChem:318479DTXCID5095963[2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl] 2-morpholin-4-ylacetate[2-(4-hydroxy-3-methoxy-phenyl)-2-oxo-ethyl] 2-morpholin-4-ylacetate2-(4-Hydroxy-3-methoxyphenyl)-2-oxoethyl (morpholin-4-yl)acetate4-Morpholineacetic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl ester
Database identifiers
- CAS
19779-55-6- PubChem CID
- 209359
- DTXSID
DTXSID70173472
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 125 · 125-127 °C
- Boiling point
- 494.1 · 494.1±45.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- 7.55 · 7.55±0.20(Predicted)
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Compound notes
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