Basic information
- CAS
39719-58-9- Standard SMILES
O=C(COc1ccccc1O)OCC(O)COc1ccc(Cl)cc1- InChIKey
DIVUTHOZPCQXID-UHFFFAOYSA-N- Molecular formula
- C17H17ClO6
- Average molar mass
- 352.8 g/mol
- Monoisotopic mass
- 352.071366
Names & identifiers
- Preferred name
- 3-(4-Chlorophenoxy)-2-hydroxypropyl (2-hydroxyphenoxy)acetate
- IUPAC
- [3-(4-chlorophenoxy)-2-hydroxypropyl] 2-(2-hydroxyphenoxy)acetate
Names & synonyms
3-(4-Chlorophenoxy)-2-hydroxypropyl (2-hydroxyphenoxy)acetate39719-58-9DTXSID30960320RefChem:1066802DTXCID601388180BRN 3006335Acetic acid, (2-hydroxyphenoxy)-, 3-(4-chlorophenoxy)-2-hydroxypropyl ester
Database identifiers
- CAS
39719-58-9- PubChem CID
- 217834
- DTXSID
DTXSID30960320
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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