Basic information
- CAS
5456-33-7- Standard SMILES
O=C(COc1ccccc1)OCCc1ccccc1- InChIKey
UOUUDTUSCBNFSM-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Names & identifiers
- Preferred name
- 2-Phenylethyl phenoxyacetate
- IUPAC
- 2-phenylethyl 2-phenoxyacetate
- English name
- 2-phenylethyl phenoxyacetate
- Molecular formula
- C16H16O3
- Molecular weight
- 256.3
Names & synonyms
2-Phenylethyl phenoxyacetate5456-33-7EINECS 226-714-4AI3-22348SCHEMBL11045233DTXSID60202982NSC6678UOUUDTUSCBNFSM-UHFFFAOYSA-NNSC 6678NSC-6678Acetic acid, phenoxy-, 2-phenylethyl esterNS00033129
Show more names
Phenoxyacetic acid 2-phenylethyl esterAcetic acid, 2-phenoxy-, 2-phenylethyl ester
Database identifiers
- CAS
5456-33-7- PubChem CID
- 79560
- DTXSID
DTXSID60202982- EC Number
- 226-714-4
- Nikkaji
- J210.511J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 379.5 · 379.5±17.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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