Anethole
Representations & DB's id
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| ChEBI: | CHEBI:35616 | |
|---|---|---|
| ChEMBL: | CHEMBL452630 | |
| PubChem: | 637563 | |
| IUPAC: | 1-methoxy-4-[(E)-prop-1-enyl]benzene | |
| Standard InChI: | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+ | |
| Standard InChI Key: | RUVINXPYWBROJD-ONEGZZNKSA-N | |
| SMILES: | C/C=C/c1ccc(cc1)OC | |
Molecular propeties
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| AlogP: | 2.73 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 148.09 | |
| Topological polar surface area: | 9.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 10 | |