(5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID: 14287062
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 251.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DXCLZSITICUANS-RYUDHWBXSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.147 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.555 |
| Compound Name | (5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5388782705882353 |
| Inchi | InChI=1S/C15H22O2/c1-9(2)12-5-4-11(8-16)13-7-15(17)10(3)6-14(12)13/h6-7,9,11-12,16-17H,4-5,8H2,1-3H3/t11-,12-/m0/s1 |
| Smiles | CC1=CC2=C(C=C1O)[C@@H](CC[C@H]2C(C)C)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fordia Cauliflora (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glaucium Pulchrum (Plant) Rel Props:Source_db:cmaup_ingredients