Basic information
- CAS
39719-60-3- Standard SMILES
CC(Oc1ccccc1)C(=O)OCC(O)COc1ccc(Cl)cc1- InChIKey
ULHXFYICWHXHGQ-UHFFFAOYSA-N- Molecular formula
- C18H19ClO5
- Average molar mass
- 350.8 g/mol
- Monoisotopic mass
- 350.0921014
Names & identifiers
- Preferred name
- 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-phenoxypropanoate
- IUPAC
- [3-(4-chlorophenoxy)-2-hydroxypropyl] 2-phenoxypropanoate
Names & synonyms
3-(4-Chlorophenoxy)-2-hydroxypropyl 2-phenoxypropanoate39719-60-3DTXSID50960322RefChem:1066807DTXCID001388182BRN 3005717Propanoic acid, 2-phenoxy-, 3-(4-chlorophenoxy)-2-hydroxypropyl ester
Database identifiers
- CAS
39719-60-3- PubChem CID
- 217836
- DTXSID
DTXSID50960322
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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