Ethyl (2S)-phenyl[(propan-2-yl)oxy]acetate
Basic information
- CAS
1434643-38-5- Standard SMILES
CCOC(=O)[C@@H](OC(C)C)c1ccccc1- InChIKey
KUZBJBJLLMGRBI-LBPRGKRZSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- Ethyl (2S)-phenyl[(propan-2-yl)oxy]acetate
- IUPAC
- ethyl (2S)-2-phenyl-2-propan-2-yloxyacetate
Names & synonyms
SCHEMBL13554999DTXSID201190844Ethyl (2S)-phenyl[(propan-2-yl)oxy]acetateBenzeneacetic acid, I+/--(1-methylethoxy)-, ethyl ester, (I+/-S)-1434643-38-5
Database identifiers
- CAS
1434643-38-5- PubChem CID
- 70934962
- DTXSID
DTXSID201190844
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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