2-Phenylethyl 2-Methylpropanoate
Representations & DB's id
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| ChEBI: | CHEBI:87409 | |
|---|---|---|
| ChEMBL: | CHEMBL3184929 | |
| PubChem: | 7655 | |
| IUPAC: | 2-phenylethyl 2-methylpropanoate | |
| Standard InChI: | InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 | |
| Standard InChI Key: | JDQVBGQWADMTAM-UHFFFAOYSA-N | |
| SMILES: | O=C(C(C)C)OCCc1ccccc1 | |
Molecular propeties
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| AlogP: | 2.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| 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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