(2R)-2-Ethylhexyl 2-(4-chloro-2-methylphenoxy)propanoate
Basic information
- CAS
1184760-33-5- Standard SMILES
CCCC[C@@H](CC)COC(=O)C(C)Oc1ccc(Cl)cc1C- InChIKey
NWTKQOOQEPXMMW-YSSOQSIOSA-N- Molecular formula
- C18H27ClO3
- Average molar mass
- 326.9 g/mol
- Monoisotopic mass
- 326.1648724
Names & identifiers
- Preferred name
- (2R)-2-Ethylhexyl 2-(4-chloro-2-methylphenoxy)propanoate
- IUPAC
- [(2R)-2-ethylhexyl] 2-(4-chloro-2-methylphenoxy)propanoate
Names & synonyms
DTXSID601199874(2R)-2-Ethylhexyl 2-(4-chloro-2-methylphenoxy)propanoate1184760-33-5
Database identifiers
- CAS
1184760-33-5- PubChem CID
- 165354584
- DTXSID
DTXSID601199874
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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