Basic information
- CAS
83392-61-4- Standard SMILES
CC1=CC(=O)C(Cc2ccccc2)(c2ccc(O)cc2O)N1- InChIKey
LHNTWOMRAWMISU-UHFFFAOYSA-N- Molecular formula
- C18H17NO3
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.1208434
Names & identifiers
- Preferred name
- 2-benzyl-2-(2,4-dihydroxyphenyl)-5-methyl-1H-pyrrol-3-one
- IUPAC
- 2-benzyl-2-(2,4-dihydroxyphenyl)-5-methyl-1H-pyrrol-3-one
Names & synonyms
2-benzyl-2-(2,4-dihydroxyphenyl)-5-methyl-1H-pyrrol-3-one83392-61-4NSC367262DTXSID30320960NSC-367262DS-0129912-Benzyl-2-(2,4-dihydroxyphenyl)-5-methyl-1,2-dihydro-3H-pyrrol-3-one
Database identifiers
- CAS
83392-61-4- PubChem CID
- 339658
- DTXSID
DTXSID30320960
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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