4-Amyl-2-(P-hydroxyphenyl)-1-phenyl-3,5-pyrazolidinedione
Basic information
- CAS
22204-76-8- Standard SMILES
CCCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O- InChIKey
LXGCTYWNUXWGFJ-UHFFFAOYSA-N- Molecular formula
- C20H22N2O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.16304257
Names & identifiers
- Preferred name
- 4-Amyl-2-(P-hydroxyphenyl)-1-phenyl-3,5-pyrazolidinedione
- IUPAC
- 1-(4-hydroxyphenyl)-4-pentyl-2-phenylpyrazolidine-3,5-dione
Names & synonyms
Y57CU3W6O94-AMYL-2-(P-HYDROXYPHENYL)-1-PHENYL-3,5-PYRAZOLIDINEDIONE22204-76-83,5-Pyrazolidinedione, 1-(4-hydroxyphenyl)-4-pentyl-2-phenyl-UNII-Y57CU3W6O9DTXSID702749131-(4-hydroxyphenyl)-4-pentyl-2-phenylpyrazolidine-3,5-dione
Database identifiers
- CAS
22204-76-8- PubChem CID
- 31055
- DTXSID
DTXSID70274913- UNII
- Y57CU3W6O9
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 468
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Compound notes
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