5-(3-ethoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
Basic information
- CAS
5735-98-8- Standard SMILES
CCOc1cccc(C2C(=C(O)c3ccc4c(c3)CC(C)O4)C(=O)C(=O)N2CCCOC)c1- InChIKey
UHCQXMXNRLBZGV-UHFFFAOYSA-N- Molecular formula
- C26H29NO6
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.19948764
Names & identifiers
- Preferred name
- 5-(3-ethoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
- IUPAC
- 5-(3-ethoxyphenyl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Names & synonyms
5735-98-8DTXSID609728555-(3-ethoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-2,5-dihydro-1H-pyrrol-2-one847175-03-55-(3-ethoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1,5-dihydro-2H-pyrrol-2-one5-(3-Ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Database identifiers
- CAS
5735-98-8- PubChem CID
- 3970923
- DTXSID
DTXSID60972855
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 751
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Compound notes
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