Basic information
- CAS
371236-77-0- Standard SMILES
COc1cc(C2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCO)ccc1O- InChIKey
HTHSPUADIQJKMF-UHFFFAOYSA-N- Molecular formula
- C20H18ClNO6
- Average molar mass
- 403.8 g/mol
- Monoisotopic mass
- 403.082265
Names & identifiers
- Preferred name
- (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
- IUPAC
- (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
- English name
- 4-(4-chlorobenzoyl)-3-hydroxy-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
- Molecular formula
- C20H18ClNO6
- Molecular weight
- 403.81
Names & synonyms
371236-77-0DTXSID6011104124-(4-chlorobenzoyl)-3-hydroxy-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-oneSTL037224AKOS005691232(4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione4-(4-Chlorobenzoyl)-1,5-dihydro-3-hydroxy-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)-2H-pyrrol-2-one2H-Pyrrol-2-one, 4-(4-chlorobenzoyl)-1,5-dihydro-3-hydroxy-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)-
Database identifiers
- CAS
371236-77-0- PubChem CID
- 5791565
- DTXSID
DTXSID601110412
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 630
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…