Basic information
- CAS
618074-19-4- Standard SMILES
C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCOC)C2c2ccc(CC)cc2)cc1- InChIKey
ANAJUTLISZWEIJ-XTQSDGFTSA-N- Molecular formula
- C25H27NO5
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.18892296
Names & identifiers
- Preferred name
- 4-(4-(Allyloxy)benzoyl)-5-(4-ethylphenyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(4-ethylphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
- English name
- SALOR-INT L423912-1EA
- Molecular formula
- C25H27NO5
- Molecular weight
- 421.49
Names & synonyms
618074-19-44-[4-(ALLYLOXY)BENZOYL]-5-(4-ETHYLPHENYL)-3-HYDROXY-1-(2-METHOXYETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE4-(4-(Allyloxy)benzoyl)-5-(4-ethylphenyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-oneRefChem:513669637-674-65-(4-ethylphenyl)-3-hydroxy-1-(2-methoxyethyl)-4-[4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-oneSTK813933AKOS002193691AKOS016070155Z577836955-(4-ethylphenyl)-3-hydroxy-1-(2-methoxyethyl)-4-{[4-(prop-2-en-1-yloxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-oneSALOR-INT L423912-1EA
Show more names
4-(4-(allyloxy)benzoyl)-5-(4-ethylphenyl)-3-hydroxy-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one2H-Pyrrol-2-one, 5-(4-ethylphenyl)-1,5-dihydro-3-hydroxy-1-(2-methoxyethyl)-4-[4-(2-propen-1-yloxy)benzoyl]-
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 671
Physicochemical properties
- Boiling point
- 624.6 · 624.6±55.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H410
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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