2-Phenylethyl Butanoate
Representations & DB's id
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| ChEBI: | CHEBI:87413 | |
|---|---|---|
| ChEMBL: | CHEMBL3187974 | |
| PubChem: | 7658 | |
| IUPAC: | 2-phenylethyl butanoate | |
| Standard InChI: | InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 | |
| Standard InChI Key: | WFNDDSQUKATKNX-UHFFFAOYSA-N | |
| SMILES: | CCCC(=O)OCCc1ccccc1 | |
Molecular propeties
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| AlogP: | 2.57 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 1 | |
| Molecular Weight: | 192.12 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.417 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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