Basic information
- Standard SMILES
COC(=O)C(C)(C)c1cc([N+](=O)[O-])ccc1OCc1ccccc1- InChIKey
PEMUBOWEUQLGAE-UHFFFAOYSA-N- Molecular formula
- C18H19NO5
- Average molar mass
- 329.3 g/mol
Names & identifiers
- Preferred name
- 2-(2-Benzyloxy-5-nitrophenyl)-2-methylpropionic acid methyl ester
- IUPAC
- methyl 2-methyl-2-(5-nitro-2-phenylmethoxyphenyl)propanoate
Names & synonyms
SCHEMBL6688272PEMUBOWEUQLGAE-UHFFFAOYSA-N2-(2-benzyloxy-5-nitrophenyl)-2-methylpropionic acid methyl ester
Database identifiers
- PubChem CID
- 22980959
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 439
Related reactions
4 records
Compound notes
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