(2R)-6-(2-Hydroxyethyl)-2,5,7-Trimethyl-2,3-Dihydroinden-1-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1728959 | |
| PubChem: | 115049 | |
| IUPAC: | (2R)-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one | |
| Standard InChI: | InChI=1S/C14H18O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9,15H,4-5,7H2,1-3H3/t9-/m1/s1 | |
| Standard InChI Key: | SJNCSXMTBXDZQA-SECBINFHSA-N | |
| SMILES: | OCCc1c(C)cc2c(c1C)C(=O)[C@@H](C2)C | |
Molecular propeties
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| AlogP: | 2.21 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 218.13 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 14 | |