(3S)-5-(7-hydroxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-2-methylpentane-2,3-diol
PubChem CID: 163019732
Connections displayed (default: 10).
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| Topological Polar Surface Area | 60.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-5-(7-hydroxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-2-methylpentane-2,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C20H28O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GQRAZEJOXPGRMJ-IBGZPJMESA-N |
| Fcsp3 | 0.5 |
| Logs | -3.417 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.481 |
| Compound Name | (3S)-5-(7-hydroxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-2-methylpentane-2,3-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 316.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 316.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4648733304347825 |
| Inchi | InChI=1S/C20H28O3/c1-12(2)16-10-14-7-6-13(3)15(17(14)11-18(16)21)8-9-19(22)20(4,5)23/h6-7,10-12,19,21-23H,8-9H2,1-5H3/t19-/m0/s1 |
| Smiles | CC1=C(C2=CC(=C(C=C2C=C1)C(C)C)O)CC[C@@H](C(C)(C)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glaucium Oxylobum (Plant) Rel Props:Source_db:cmaup_ingredients