2-(2,4-Dichlorophenoxy)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
Basic information
- CAS
75217-44-6- Standard SMILES
COc1ccc(C(O)C(CO)Oc2ccc(Cl)cc2Cl)cc1OC- InChIKey
FCCNOWDBKIBOSU-UHFFFAOYSA-N- Molecular formula
- C17H18Cl2O5
- Average molar mass
- 373.2 g/mol
- Monoisotopic mass
- 372.0531291
Names & identifiers
- Preferred name
- 2-(2,4-Dichlorophenoxy)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
- IUPAC
- 2-(2,4-dichlorophenoxy)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
Names & synonyms
2-(2,4-dichlorophenoxy)-1-(3,4-dimethoxyphenyl)propane-1,3-diol75217-44-6DTXSID60996677RefChem:250104DTXCID1014236901-(3,4-dimethoxy-phenyl)-2-(2,4-dichlorophenoxy)-propane-1,3-diol
Database identifiers
- CAS
75217-44-6- PubChem CID
- 53179
- DTXSID
DTXSID60996677- Nikkaji
- J1.590.465H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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