4,7-dimethoxy-5-[(4-methoxyphenyl)ethynyl]-2H-1,3-benzodioxole
Chemical Structure Depiction of
4,7-dimethoxy-5-[(4-methoxyphenyl)ethynyl]-2H-1,3-benzodioxole
4,7-dimethoxy-5-[(4-methoxyphenyl)ethynyl]-2H-1,3-benzodioxole
Compound characteristics
| Compound ID: | 8020-5999 |
| Compound Name: | 4,7-dimethoxy-5-[(4-methoxyphenyl)ethynyl]-2H-1,3-benzodioxole |
| Molecular Weight: | 312.32 |
| Molecular Formula: | C18 H16 O5 |
| Smiles: | COc1ccc(C#Cc2cc(c3c(c2OC)OCO3)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4854 |
| logD: | 4.4854 |
| logSw: | -4.4086 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.342 |
| InChI Key: | JGUVLMSKOXUQHD-UHFFFAOYSA-N |