Basic information
- Standard SMILES
CCOC(=O)C(OC(C)(C)C)c1c(C)c(Br)c2ccccc2c1O- InChIKey
KMVLZGUMYGXRNJ-UHFFFAOYSA-N- Molecular formula
- C19H23BrO4
- Average molar mass
- 395.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(4-bromo-1-hydroxy-3-methylnaphthalen-2-yl)-2-tert-butoxyacetate
- IUPAC
- ethyl 2-(4-bromo-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
Names & synonyms
SCHEMBL1699756KMVLZGUMYGXRNJ-UHFFFAOYSA-Nethyl 2-(4-bromo-1-hydroxy-3-methylnaphthalen-2-yl)-2-tert-butoxyacetate
Database identifiers
- PubChem CID
- 67126338
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 434
Related reactions
1 records
Compound notes
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