(8S)-1,5,8-trimethyl-7,9-dihydro-6H-benzo[e][1]benzofuran-8-ol
PubChem CID: 163051893
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| Topological Polar Surface Area | 33.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8S)-1,5,8-trimethyl-7,9-dihydro-6H-benzo[e][1]benzofuran-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C15H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PEJFNBVBRCLNGJ-HNNXBMFYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -4.136 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.266 |
| Compound Name | (8S)-1,5,8-trimethyl-7,9-dihydro-6H-benzo[e][1]benzofuran-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 230.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.719768105882352 |
| Inchi | InChI=1S/C15H18O2/c1-9-6-13-14(10(2)8-17-13)12-7-15(3,16)5-4-11(9)12/h6,8,16H,4-5,7H2,1-3H3/t15-/m0/s1 |
| Smiles | CC1=CC2=C(C(=CO2)C)C3=C1CC[C@](C3)(C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Genuflexa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dictamnus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ruta Chalepensis (Plant) Rel Props:Source_db:cmaup_ingredients