Basic information
- CAS
405271-21-8- Standard SMILES
CCO[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)C- InChIKey
YKMJQGXRHBCGLU-FQEVSTJZSA-N- Molecular formula
- C21H26O4
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.18310931
Names & identifiers
- Preferred name
- Buy676M8Q6
- IUPAC
- propan-2-yl (2S)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
Names & synonyms
BUY676M8Q61-Methylethyl (alphaS)-alpha-ethoxy-4-(phenylmethoxy)benzenepropanoateBenzenepropanoic acid, alpha-ethoxy-4-(phenylmethoxy)-, 1-methylethyl ester, (alphaS)-405271-21-8
Database identifiers
- CAS
405271-21-8- PubChem CID
- 11279321
- UNII
- BUY676M8Q6
- Nikkaji
- J2.197.262B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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