2-[(3-bromo-4-methoxyphenyl)methylidene]-5-(3-methylbutylidene)cyclopentan-1-one
Chemical Structure Depiction of
2-[(3-bromo-4-methoxyphenyl)methylidene]-5-(3-methylbutylidene)cyclopentan-1-one
2-[(3-bromo-4-methoxyphenyl)methylidene]-5-(3-methylbutylidene)cyclopentan-1-one
Compound characteristics
| Compound ID: | C151-0818 |
| Compound Name: | 2-[(3-bromo-4-methoxyphenyl)methylidene]-5-(3-methylbutylidene)cyclopentan-1-one |
| Molecular Weight: | 349.27 |
| Molecular Formula: | C18 H21 Br O2 |
| Smiles: | CC(C)C\C=C1/CC/C(=C\c2ccc(c(c2)[Br])OC)C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.2378 |
| logD: | 5.2378 |
| logSw: | -5.1439 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.3018 |
| InChI Key: | JRXPRLBDLOYKEP-UHFFFAOYSA-N |