methyl 3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]propanoate
Chemical Structure Depiction of
methyl 3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]propanoate
methyl 3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]propanoate
Compound characteristics
| Compound ID: | N014-0002 |
| Compound Name: | methyl 3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]propanoate |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C25 H32 O5 |
| Smiles: | CC1CCC(=C(C)C)C(C)(CCC(=O)OC)C1COc1ccc2C=CC(=O)Oc2c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1673 |
| logD: | 5.1673 |
| logSw: | -5.1604 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.644 |
| InChI Key: | LYSHMNVQUVJTGP-UHFFFAOYSA-N |