methyl 3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoate
Chemical Structure Depiction of
methyl 3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoate
methyl 3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoate
Compound characteristics
| Compound ID: | N014-0001 |
| Compound Name: | methyl 3-[1,3-dimethyl-2-{[(2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoate |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C25 H30 O5 |
| Smiles: | CC(=C)C1CC=C(C)C(COc2ccc3C=CC(=O)Oc3c2)C1(C)CCC(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7266 |
| logD: | 5.7266 |
| logSw: | -5.4672 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.644 |
| InChI Key: | OAUDKNYNNMXLHJ-UHFFFAOYSA-N |