Basic information
- Standard SMILES
CN(C(=O)OC(C)(C)C)c1ccc(C#CCO)cc1- InChIKey
KCQQOTRGJHGBEA-UHFFFAOYSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
Names & identifiers
- Preferred name
- [4-(3-Hydroxy-prop-1-ynyl)-phenyl]-methyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-(3-hydroxyprop-1-ynyl)phenyl]-N-methylcarbamate
Names & synonyms
SCHEMBL3365407KCQQOTRGJHGBEA-UHFFFAOYSA-N[4-(3-Hydroxy-prop-1-ynyl)-phenyl]-methyl-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68614558
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Related reactions
2 records
Compound notes
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