Rhododendrol
PubChem CID: 919205
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| Compound Synonyms | Rhododendrol, 501-96-2, (-)-rhododendrol, 4-[(3R)-3-hydroxybutyl]phenol, Rhododendrol, (-)-, (-)-Betuligenol, (R)-Frambinol, Betuligenol, (-)-, (R)-(-)-Rhododendrol, (R)-4-(3-Hydroxybutyl)phenol, 2-Butanol, 4-(p-hydroxyphenyl)-, 97PTR2F3Z8, CHEMBL1086681, Benzenepropanol, 4-hydroxy-.alpha.-methyl-, (R)-, UNII-97PTR2F3Z8, Benzenepropanol, 4-hydroxy-alpha-methyl-, (alphaR)-, MFCD20274761, Benzenepropanol, 4-hydroxy-alpha-methyl-, (R)-, SCHEMBL13698052, 4r-(4-hydroxyphenyl)-2-butanol, DTXSID20198211, SFUCGABQOMYVJW-MRVPVSSYSA-N, p-(3-Hydroxybutyl)phenol, (R)-, (R)-(-)-Rhododendrol, (R)-Frambinol, Betuligenol, Betuligenol, (-)-, Rhododendrol, Rhododendrol, (-)-, HY-N0948, BDBM50619620, AKOS032948275, AS-18098, DA-67195, CS-0016082, G69291, EN300-1870666, Benzenepropanol, 4-hydroxy-.alpha.-methyl-, (-)-, Q27272029, BENZENEPROPANOL, 4-HYDROXY-.ALPHA.-METHYL-, (.ALPHA.R)- |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 117.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(3R)-3-hydroxybutyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SFUCGABQOMYVJW-MRVPVSSYSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.379 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.117 |
| Compound Name | Rhododendrol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2584640000000005 |
| Inchi | InChI=1S/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,11-12H,2-3H2,1H3/t8-/m1/s1 |
| Smiles | C[C@H](CCC1=CC=C(C=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Betula Platyphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rhododendron Aureum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Rhododendron Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Rhododendron Mucronatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Rhododendron Mucronulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all