4-(4-(Allyloxy)benzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one
Basic information
- CAS
4133-13-5- Standard SMILES
C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCCOC)C2c2ccccc2F)cc1- InChIKey
NHIBUTQFQSUOFV-UHFFFAOYSA-N- Molecular formula
- C24H24FNO5
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.16385103
Names & identifiers
- Preferred name
- 4-(4-(Allyloxy)benzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one
- IUPAC
- 5-(2-fluorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Names & synonyms
4-(4-(Allyloxy)benzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one4133-13-55-(2-Fluorophenyl)-4-(hydroxy{4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-1-(3-methoxypropyl)pyrrolidine-2,3-dioneDTXSID30410991
Database identifiers
- CAS
4133-13-5- PubChem CID
- 5220488
- DTXSID
DTXSID30410991
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 685
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…