Basic information
- Standard SMILES
CCCC(Oc1cc(Cl)cc(Cl)c1)C(O)CO- InChIKey
FRGOCFLGIPYFDG-UHFFFAOYSA-N- Molecular formula
- C12H16Cl2O3
- Average molar mass
- 279.16 g/mol
Names & identifiers
- Preferred name
- 3-(3,5-Dichlorophenoxy)hexane-1,2-diol
- IUPAC
- 3-(3,5-dichlorophenoxy)hexane-1,2-diol
Names & synonyms
SCHEMBL6277372
Database identifiers
- PubChem CID
- 69730238
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 206
Related reactions
1 records
Compound notes
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