Basic information
- Standard SMILES
COc1ccc([N+](=O)[O-])c(C(O)C(C)(C)C)c1- InChIKey
GWEWYSBRXDYSRY-UHFFFAOYSA-N- Molecular formula
- C12H17NO4
- Average molar mass
- 239.27 g/mol
Names & identifiers
- Preferred name
- racemic (R/S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethyl-1-propanol
- IUPAC
- 1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropan-1-ol
Names & synonyms
SCHEMBL14782263SCHEMBL14947933GWEWYSBRXDYSRY-UHFFFAOYSA-Nracemic (R/S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethyl-1-propanol
Database identifiers
- PubChem CID
- 89442473
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Related reactions
4 records
Compound notes
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