1-Hydroxyl-2-tert-butyl-4-methoxy-6-nitrobenzene
Basic information
- CAS
59282-34-7- Standard SMILES
COc1cc([N+](=O)[O-])c(O)c(C(C)(C)C)c1- InChIKey
OGKWHKXXAXRZIL-UHFFFAOYSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-Hydroxyl-2-tert-butyl-4-methoxy-6-nitrobenzene
- IUPAC
- 2-tert-butyl-4-methoxy-6-nitrophenol
- English name
- 1-hydroxyl-2-tert-butyl-4-methoxy-6-nitrobenzene
- Molecular formula
- C11H15NO4
- Molecular weight
- 225.24
Names & synonyms
59282-34-71-Hydroxyl-2-tert-butyl-4-methoxy-6-nitrobenzeneDTXSID60208000RefChem:76042BHA-NO2DTXCID401304912-tert-Butyl-4-methoxy-6-nitrophenolCCRIS 38672-(1,1-Dimethylethyl)-4-methoxy-6-nitrophenol2-(tert-Butyl)-4-methoxy-6-nitrophenolDB-291441Phenol, 2-(1,1-dimethylethyl)-4-methoxy-6-nitro-
Database identifiers
- CAS
59282-34-7- PubChem CID
- 124445
- DTXSID
DTXSID60208000
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
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Related reactions
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Compound notes
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