Basic information
- Standard SMILES
COC(=O)C(C)Oc1cc(Cl)ccc1CO- InChIKey
BQBRWLMZBOUYMU-UHFFFAOYSA-N- Molecular formula
- C11H13ClO4
- Average molar mass
- 244.67 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(5-chloro-2-hydroxymethylphenoxy)propionate
- IUPAC
- methyl 2-[5-chloro-2-(hydroxymethyl)phenoxy]propanoate
Names & synonyms
SCHEMBL8471664BQBRWLMZBOUYMU-UHFFFAOYSA-Nmethyl 2-(5-chloro-2-hydroxymethylphenoxy)-propionatemethyl 2-(5-chloro-2-hydroxymethylphenoxy)propionate
Database identifiers
- PubChem CID
- 53695259
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
10 records
Compound notes
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