4-(3-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
Chemical Structure Depiction of
4-(3-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
4-(3-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
Compound characteristics
| Compound ID: | 8015-8059 |
| Compound Name: | 4-(3-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione |
| Molecular Weight: | 304.77 |
| Molecular Formula: | C17 H17 Cl O3 |
| Smiles: | CC1(C)CC2=C(C(CC(=O)O2)c2cccc(c2)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3384 |
| logD: | 3.3384 |
| logSw: | -3.6264 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.683 |
| InChI Key: | IRKOLUKBESMAJA-LBPRGKRZSA-N |