Basic information
- Standard SMILES
COC(=O)C(C)(C)c1cc(C(C)(C)C)c([N+](=O)[O-])cc1O- InChIKey
BDQKZONAYORPQO-UHFFFAOYSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(5-tert-butyl-2-hydroxy-4-nitrophenyl)-2-methylpropanoate
- IUPAC
- methyl 2-(5-tert-butyl-2-hydroxy-4-nitrophenyl)-2-methylpropanoate
Names & synonyms
1246213-34-2methyl 2-(5-tert-butyl-2-hydroxy-4-nitrophenyl)-2-methylpropanoateSCHEMBL377035BDQKZONAYORPQO-UHFFFAOYSA-N5-(1,1-Dimethylethyl)-2-hydroxy-alpha,alpha-dimethyl-4-nitro-benzeneacetic Acid Methyl EsterDB-319841Methyl 2-(5-(tert-butyl)-2-hydroxy-4-nitrophenyl)-2-methylpropanoate
Database identifiers
- PubChem CID
- 59544161
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Related reactions
13 records
Compound notes
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