Tert-butyl 5-hydroxy-7-methylindole-1-carboxylate
Basic information
- CAS
2408761-22-6- Standard SMILES
Cc1cc(O)cc2ccn(C(=O)OC(C)(C)C)c12- InChIKey
IOSUMKMCAFDYCP-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 5-hydroxy-7-methylindole-1-carboxylate
- IUPAC
- tert-butyl 5-hydroxy-7-methylindole-1-carboxylate
- English name
- 1H-Indole-1-carboxylic acid, 5-hydroxy-7-methyl-, 1,1-dimethylethyl ester
- Molecular formula
- C14H17NO3
- Molecular weight
- 247.29
Names & synonyms
SCHEMBL21625237SCHEMBL31056662tert-Butyl 5-hydroxy-7-methyl-1H-indole-1-carboxylate1H-Indole-1-carboxylic acid, 5-hydroxy-7-methyl-, 1,1-dimethylethyl ester
Database identifiers
- CAS
2408761-22-6
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 391.4 · 391.4±34.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 9.7 · 9.70±0.40(Predicted)
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Compound notes
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