5(4H)-Isoxazolone, 4-[(4-methoxyphenyl)methylene]-3-phenyl-
Basic information
- CAS
50779-89-0- Standard SMILES
COc1ccc(C=C2C(=O)ON=C2c2ccccc2)cc1- InChIKey
HGIIHVJCDPYWBJ-UHFFFAOYSA-N- Molecular formula
- C17H13NO3
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.08954328
Names & identifiers
- Preferred name
- 5(4H)-Isoxazolone, 4-[(4-methoxyphenyl)methylene]-3-phenyl-
- IUPAC
- 4-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
Names & synonyms
CBMicro_020410DTXSID303858375(4H)-Isoxazolone, 4-[(4-methoxyphenyl)methylene]-3-phenyl-4-[(4-Methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5(4H)-one
Database identifiers
- CAS
50779-89-0- PubChem CID
- 2845145
- DTXSID
DTXSID30385837
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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