(4As,10Ar)-6-Methoxy-1,1,4A-Trimethyl-7-Propan-2-Yl-2,3,4,10A-Tetrahydrophenanthrene
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL226234 | |
| PubChem: | 44423638 | |
| IUPAC: | (4aS,10aR)-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene | |
| Standard InChI: | InChI=1S/C21H30O/c1-14(2)16-12-15-8-9-19-20(3,4)10-7-11-21(19,5)17(15)13-18(16)22-6/h8-9,12-14,19H,7,10-11H2,1-6H3/t19-,21-/m1/s1 | |
| Standard InChI Key: | NCPDWQQTBMASKJ-TZIWHRDSSA-N | |
| SMILES: | COc1cc2c(cc1C(C)C)C=C[C@H]1[C@]2(C)CCCC1(C)C | |
Molecular propeties
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| AlogP: | 5.93 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 298.23 | |
| Topological polar surface area: | 9.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.619 | |
| Number of carbons: | 21 | |