Basic information
- CAS
94200-04-1- Standard SMILES
CC(COC(=O)c1ccccc1O)c1ccccc1- InChIKey
SYBHSJVPHKONAA-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Names & identifiers
- Preferred name
- 2-Phenylpropyl salicylate
- IUPAC
- 2-phenylpropyl 2-hydroxybenzoate
- English name
- 2-phenylpropyl salicylate
- Molecular formula
- C16H16O3
- Molecular weight
- 256.3
Names & synonyms
2-Phenylpropyl salicylate94200-04-1EINECS 303-480-22-phenylpropyl 2-hydroxybenzoateSCHEMBL19714667DTXSID40916191SYBHSJVPHKONAA-UHFFFAOYSA-NNS00065620Salicylic acid 2-phenylpropyl esterBenzoic acid, 2-hydroxy-, 2-phenylpropyl ester
Database identifiers
- CAS
94200-04-1- PubChem CID
- 3023944
- DTXSID
DTXSID40916191- EC Number
- 303-480-2
- Nikkaji
- J141.662F
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 379.3 · 379.3±25.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- pka
- 8.1 · 8.10±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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