(Pyridin-2-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate
Basic information
- CAS
101711-02-8- Standard SMILES
CC(C)C(O)(C(=O)OCc1ccccn1)c1ccccc1- InChIKey
FLUMCGBIBFGWKF-UHFFFAOYSA-N- Molecular formula
- C17H19NO3
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.13649347
Names & identifiers
- Preferred name
- (Pyridin-2-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate
- IUPAC
- pyridin-2-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate
Names & synonyms
101711-02-8DTXSID60906559(Pyridin-2-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoateRefChem:1051036DTXCID8013356562-Pyridinemethyl alpha-isopropyl-alpha-phenylglycolateMANDELIC ACID, alpha-ISOPROPYL-, 2-PYRIDYLMETHYL ESTER
Database identifiers
- CAS
101711-02-8- PubChem CID
- 58811
- DTXSID
DTXSID60906559- Nikkaji
- J147.712I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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