(2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol
PubChem CID: 162946144
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 517.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C22H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RXKAJVPBSTXEAH-UGKGYDQZSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -5.113 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.272 |
| Compound Name | (2R)-2-[(3S)-3-hydroxy-8-methyl-4-methylidenenon-7-enyl]-2,7-dimethylchromen-5-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 342.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.2573698 |
| Inchi | InChI=1S/C22H30O3/c1-15(2)7-6-8-17(4)19(23)10-12-22(5)11-9-18-20(24)13-16(3)14-21(18)25-22/h7,9,11,13-14,19,23-24H,4,6,8,10,12H2,1-3,5H3/t19-,22-/m0/s1 |
| Smiles | CC1=CC(=C2C=C[C@@](OC2=C1)(C)CC[C@@H](C(=C)CCC=C(C)C)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients