{7-[(4-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetic acid
Chemical Structure Depiction of
{7-[(4-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetic acid
{7-[(4-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetic acid
Compound characteristics
| Compound ID: | D715-0251 |
| Compound Name: | {7-[(4-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetic acid |
| Molecular Weight: | 417.25 |
| Molecular Formula: | C20 H17 Br O5 |
| Smiles: | CC1=C(CC(O)=O)C(=O)Oc2c1ccc(c2C)OCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4855 |
| logD: | 1.0268 |
| logSw: | -4.6883 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.542 |
| InChI Key: | QPDQAPCOCPZJEL-UHFFFAOYSA-N |