Basic information
- CAS
80304-55-8- Standard SMILES
COc1ccc(C=CC(O)CN2CCOCC2)cc1- InChIKey
JIQSYJYZZDCLEF-UHFFFAOYSA-N- Molecular formula
- C15H21NO3
- Average molar mass
- 263.33 g/mol
- Monoisotopic mass
- 263.15214353
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)-1-morpholin-4-ylbut-3-en-2-ol
- IUPAC
- 4-(4-methoxyphenyl)-1-morpholin-4-ylbut-3-en-2-ol
- English name
- METOSTILENOL
- Molecular formula
- C15H21NO3
- Molecular weight
- 263.33
Names & synonyms
SCHEMBL112118704-Morpholineethanol, α-[2-(4-methoxyphenyl)ethenyl]-
Database identifiers
- CAS
80304-55-8- PubChem CID
- 3047741
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 438.2 · 438.2±45.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- 14.24 · 14.24±0.20(Predicted)
- FDA UNII
- 737 T1YVX89 · 737T1YVX89
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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