Basic information
- Standard SMILES
COC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1- InChIKey
DQNSZINDFBYSAM-MRVPVSSYSA-N- Molecular formula
- C11H13ClO3
- Average molar mass
- 228.67 g/mol
Names & identifiers
- Preferred name
- Methyl (2R)-2-(4-chloro-3-methylphenoxy)propanoate
- IUPAC
- methyl (2R)-2-(4-chloro-3-methylphenoxy)propanoate
Names & synonyms
SCHEMBL13384229DQNSZINDFBYSAM-MRVPVSSYSA-NMethyl (2R)-2-(4-chloro-3-methylphenoxy)propanoate
Database identifiers
- PubChem CID
- 58818328
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Related reactions
2 records
Compound notes
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