Basic information
- CAS
21724-94-7- Standard SMILES
COc1ccc(C2=CC(=O)N(c3ccccc3)C2=O)cc1- InChIKey
VBZZBBKMJFOLNA-UHFFFAOYSA-N- Molecular formula
- C17H13NO3
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.08954328
Names & identifiers
- Preferred name
- 1H-Pyrrole-2,5-dione, 3-(4-methoxyphenyl)-1-phenyl-
- IUPAC
- 3-(4-methoxyphenyl)-1-phenylpyrrole-2,5-dione
Names & synonyms
1H-Pyrrole-2,5-dione, 3-(4-methoxyphenyl)-1-phenyl-21724-94-7SCHEMBL1470995DTXSID904685793-(4-Methoxyphenyl)-1-phenyl-1H-pyrrole-2,5-dione
Database identifiers
- CAS
21724-94-7- PubChem CID
- 11558199
- DTXSID
DTXSID90468579
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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