Basic information
- Standard SMILES
O=C(O)CCCCCOc1ccc(Cl)c(Cl)c1CCO- InChIKey
IVMSQXHJZFQKRN-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2O4
- Average molar mass
- 321.2 g/mol
Names & identifiers
- Preferred name
- 6-[2-(2-Hydroxyethyl)-3,4dichlorophenoxy]hexanoic acid
- IUPAC
- 6-[3,4-dichloro-2-(2-hydroxyethyl)phenoxy]hexanoic acid
Names & synonyms
SCHEMBL10636102IVMSQXHJZFQKRN-UHFFFAOYSA-N6-[2-(2-hydroxyethyl)-3,4dichlorophenoxy]hexanoic acid
Database identifiers
- PubChem CID
- 21297264
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 288
Related reactions
1 records
Compound notes
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