7-[2-(4-bromophenyl)-2-oxoethoxy]-4-butyl-8-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2-(4-bromophenyl)-2-oxoethoxy]-4-butyl-8-methyl-2H-1-benzopyran-2-one
7-[2-(4-bromophenyl)-2-oxoethoxy]-4-butyl-8-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-4164 |
| Compound Name: | 7-[2-(4-bromophenyl)-2-oxoethoxy]-4-butyl-8-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 429.31 |
| Molecular Formula: | C22 H21 Br O4 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6985 |
| logD: | 5.6985 |
| logSw: | -5.4541 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.891 |
| InChI Key: | IYVUKTLHBLIAEA-UHFFFAOYSA-N |