Basic information
- CAS
39719-63-6- Standard SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(O)COc1ccc(Cl)cc1- InChIKey
ILCSJHCBOLBQJQ-UHFFFAOYSA-N- Molecular formula
- C19H20Cl2O5
- Average molar mass
- 399.3 g/mol
- Monoisotopic mass
- 398.0687791
Names & identifiers
- Preferred name
- 3-(4-Chlorophenoxy)-2-hydroxypropyl 2-(4-chlorophenoxy)-2-methylpropanoate
- IUPAC
- [3-(4-chlorophenoxy)-2-hydroxypropyl] 2-(4-chlorophenoxy)-2-methylpropanoate
Names & synonyms
39719-63-6DTXSID309603253-(4-chlorophenoxy)-2-hydroxypropyl 2-(4-chlorophenoxy)-2-methylpropanoateRefChem:1066804DTXCID101388185BRN 30127802-(4-Chlorophenoxy)-2-hydroxypropyl propanoatePropanoic acid, 2-(4-chlorophenoxy)-2-hydroxypropyl ester
Database identifiers
- CAS
39719-63-6- PubChem CID
- 217839
- DTXSID
DTXSID30960325
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…