C17H18O — CID 10999067
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene (PubChem CID 10999067) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene.
| Compound Name | 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene |
|---|---|
| PubChem CID | 10999067 |
| Molecular Formula | C17H18O |
| Molecular Weight | 238.33 g/mol |
| Exact Mass | 238.14 |
| IUPAC Name | 4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene |
| SMILES | COc1ccc(/C=C\c2ccc(C)c(C)c2)cc1 |
| InChI | InChI=1S/C17H18O/c1-13-4-5-16(12-14(13)2)7-6-15-8-10-17(18-3)11-9-15/h4-12H,1-3H3/b7-6- |
| InChIKey | OYFUOABEOZNIJA-SREVYHEPSA-N |
| XLogP | 4.48 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 238.33 |
| LogP ≤ 5 | 4.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
|---|