4-[3-(Benzyloxy)-4-methoxyphenyl]pyrrolidin-2-one
Basic information
- CAS
57724-78-4- Standard SMILES
COc1ccc(C2CNC(=O)C2)cc1OCc1ccccc1- InChIKey
QLIBRFKGUKUNLP-UHFFFAOYSA-N- Molecular formula
- C18H19NO3
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.13649347
Names & identifiers
- Preferred name
- 4-[3-(Benzyloxy)-4-methoxyphenyl]pyrrolidin-2-one
- IUPAC
- 4-(4-methoxy-3-phenylmethoxyphenyl)pyrrolidin-2-one
Names & synonyms
CHEMBL28925357724-78-44-[3-(Benzyloxy)-4-methoxyphenyl]pyrrolidin-2-oneSCHEMBL3547095DTXSID80561427QLIBRFKGUKUNLP-UHFFFAOYSA-NBDBM500170964-(3-Benzyloxy-4-methoxyphenyl)-2-pyrrolidone4-(3-benzyloxy-4-methoxyphenyl)-pyrrolidin-2-one4-(3-Benzyloxy-4-methoxy-phenyl)-pyrrolidin-2-one
Database identifiers
- CAS
57724-78-4- PubChem CID
- 14537151
- DTXSID
DTXSID80561427- ChEMBL
CHEMBL289253
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Related reactions
9 records
Compound notes
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