3-Methyl-5-(2-hydroxy-styryl)-isoxazole
Basic information
- Standard SMILES
Cc1cc(C=Cc2ccccc2O)on1- InChIKey
RLTXUAYQASJWBP-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 3-Methyl-5-(2-hydroxy-styryl)-isoxazole
- IUPAC
- 2-[2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenol
Names & synonyms
Oprea1_872386SCHEMBL11300802RLTXUAYQASJWBP-UHFFFAOYSA-N3-methyl-5-(2-hydroxystyryl)-isoxazole3-Methyl-5-(2-hydroxy-styryl)-isoxazole3-methyl-5-[2-(2-hydroxyphenyl)ethenyl]isoxazole
Database identifiers
- PubChem CID
- 840164
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Related reactions
4 records
Compound notes
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