Basic information
- CAS
39719-57-8- Standard SMILES
O=C(COc1ccccc1)OCC(O)COc1ccc(Cl)cc1- InChIKey
SKBZLJUGMJENAD-UHFFFAOYSA-N- Molecular formula
- C17H17ClO5
- Average molar mass
- 336.8 g/mol
- Monoisotopic mass
- 336.0764513
Names & identifiers
- Preferred name
- 3-(4-Chlorophenoxy)-2-hydroxypropyl phenoxyacetate
- IUPAC
- [3-(4-chlorophenoxy)-2-hydroxypropyl] 2-phenoxyacetate
Names & synonyms
3-(4-Chlorophenoxy)-2-hydroxypropyl phenoxyacetate39719-57-8DTXSID20960319RefChem:1066808DTXCID301388179BRN 3003891Acetic acid, phenoxy-, 3-(4-chlorophenoxy)-2-hydroxypropyl ester
Database identifiers
- CAS
39719-57-8- PubChem CID
- 217833
- DTXSID
DTXSID20960319
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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