Basic information
- CAS
5436-61-3- Standard SMILES
CC(COc1ccc(Cl)cc1)OC(=O)Cc1ccccc1- InChIKey
QTIFCYQKRFOZPW-UHFFFAOYSA-N- Molecular formula
- C17H17ClO3
- Average molar mass
- 304.8 g/mol
- Monoisotopic mass
- 304.0866221
Names & identifiers
- Preferred name
- 1-(4-Chlorophenoxy)propan-2-yl phenylacetate
- IUPAC
- 1-(4-chlorophenoxy)propan-2-yl 2-phenylacetate
Names & synonyms
5436-61-31-(4-chlorophenoxy)propan-2-yl phenylacetate1-(4-chlorophenoxy)propan-2-yl 2-phenylacetateNSC21747DTXSID00281453NSC-21747
Database identifiers
- CAS
5436-61-3- PubChem CID
- 228652
- DTXSID
DTXSID00281453
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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