Basic information
- Standard SMILES
COc1ccc(C(C)(C)C(O)C[N+](=O)[O-])cc1OC- InChIKey
QEGPTZXOLMOMCJ-UHFFFAOYSA-N- Molecular formula
- C13H19NO5
- Average molar mass
- 269.29 g/mol
Names & identifiers
- Preferred name
- 3-(3,4-Dimethoxyphenyl)-3-methyl-1-nitrobutan-2-ol
- IUPAC
- 3-(3,4-dimethoxyphenyl)-3-methyl-1-nitrobutan-2-ol
Names & synonyms
SCHEMBL604009QEGPTZXOLMOMCJ-UHFFFAOYSA-N3-(3,4-dimethoxyphenyl)-3-methyl-1-nitrobutan-2-ol
Database identifiers
- PubChem CID
- 66740796
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Related reactions
2 records
Compound notes
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