Basic information
- CAS
78246-16-9- Standard SMILES
Cc1nc(CC(C)C)cnc1Oc1ccccc1- InChIKey
VQFWHEXRDILCNY-UHFFFAOYSA-N- Molecular formula
- C15H18N2O
- Average molar mass
- 242.32 g/mol
- Monoisotopic mass
- 242.1419132
Names & identifiers
- Preferred name
- 5-Isobutyl-3-methyl-2-phenoxypyrazine
- IUPAC
- 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine
Names & synonyms
5-isobutyl-3-methyl-2-phenoxypyrazine78246-16-9DTXSID00335960RefChem:303569DTXCID30287049VQFWHEXRDILCNY-UHFFFAOYSA-N3-methyl-5-(2-methylpropyl)-2-phenoxypyrazineCHEMBL97602Pyrazine, 3-methyl-5-(2-methylpropyl)-2-phenoxy
Database identifiers
- CAS
78246-16-9- PubChem CID
- 528137
- DTXSID
DTXSID00335960- ChEMBL
CHEMBL97602
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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