2-Phenylethyl Acetate
Representations & DB's id
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| ChEBI: | CHEBI:31988 | |
|---|---|---|
| ChEMBL: | CHEMBL3184025 | |
| PubChem: | 7654 | |
| IUPAC: | 2-phenylethyl acetate | |
| Standard InChI: | InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 | |
| Standard InChI Key: | MDHYEMXUFSJLGV-UHFFFAOYSA-N | |
| SMILES: | CC(=O)OCCc1ccccc1 | |
Molecular propeties
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| AlogP: | 1.79 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 164.08 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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