1-(2,4-Dihydroxyphenyl)-2-(4-phenyl-4H-1,2,4-triazol-3-yl)ethanone
Basic information
- CAS
66819-07-6- Standard SMILES
O=C(Cc1nncn1-c1ccccc1)c1ccc(O)cc1O- InChIKey
BYJAUVOJFXCKPY-UHFFFAOYSA-N- Molecular formula
- C16H13N3O3
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.09569129
Names & identifiers
- Preferred name
- 1-(2,4-Dihydroxyphenyl)-2-(4-phenyl-4H-1,2,4-triazol-3-yl)ethanone
- IUPAC
- 1-(2,4-dihydroxyphenyl)-2-(4-phenyl-1,2,4-triazol-3-yl)ethanone
Names & synonyms
1-(2,4-Dihydroxyphenyl)-2-(4-phenyl-4H-1,2,4-triazol-3-yl)ethanone66819-07-6DTXSID70344044RefChem:222879DTXCID90295120HMS1721D20Cambridge id 6873179Oprea1_413449BYJAUVOJFXCKPY-UHFFFAOYSA-N1-(2,4-dihydroxyphenyl)-2-(4-phenyl-4H-1,2,4-triazol-3-yl)ethan-1-oneAKOS001032870EU-0069834
Show more names
SR-01000030306SR-01000030306-1Z561744821-(2,4-Dihydroxyphenyl)-2-(4-phenyl-4H-1,2,4-triazol-3-yl)ethanone #Ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-phenyl-4H-1,2,4-triazol3-yl]-
Database identifiers
- CAS
66819-07-6- PubChem CID
- 594098
- DTXSID
DTXSID70344044
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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