beta-Fenchyl alcohol
PubChem CID: 6973643
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| Compound Synonyms | beta-Fenchol, exo-Fenchol, beta-Fenchyl alcohol, Dl-beta-Fenchol, (+)-beta-Fenchyl alcohol, UNII-Y37DL02GI6, (+/-)-beta-Fenchyl alcohol, FEMA no. 2480, beta-, Y37DL02GI6, 2-Norbornanol, 1,3,3-trimethyl-, exo-, beta-Fenchyl alcohol, (+/-)-, 22627-95-8, Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, exo-, VME478566V, 64439-31-2, .beta.-Fenchyl alcohol, Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1R-exo)-, Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, (1R,2S,4S)-, alpha-Fenchol, 2-Fenchanol, .beta.-Fenchol, (+)-beta-Fenchol, beta-Fenchyl alcohol, (+)-, UNII-VME478566V, DL-.BETA.-FENCHOL, (+)-.BETA.-FENCHOL, DTXSID401014533, (+)-.BETA.-FENCHYL ALCOHOL, AKOS028109357, (+/-)-.BETA.-FENCHYL ALCOHOL, .BETA.-FENCHYL ALCOHOL, (+)-, FEMA NO. 2480, .BETA.-, .BETA.-FENCHYL ALCOHOL, (+/-)-, Q67879731, Rel-(1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol, (1R*,2S*,4S*)-1,3,3-Trimethyl-bicyclo[2.2.1]heptan-2-ol, (1R,2S,4S)-1,3,3-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-OL, BICYCLO(2.2.1)HEPTAN-2-OL, 1,3,3-TRIMETHYL-, (1R,2S,4S)-, REL- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IAIHUHQCLTYTSF-QXFUBDJGSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.31 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.19 |
| Compound Name | beta-Fenchyl alcohol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7934685999999997 |
| Inchi | InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1 |
| Smiles | C[C@@]12CC[C@@H](C1)C([C@H]2O)(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Croton Tiglium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients