(+)-Rhododendrol
PubChem CID: 919204
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| Compound Synonyms | (+)-Rhododendrol, 59092-94-3, 4-[(3S)-3-hydroxybutyl]phenol, d-Betuligenol, (+)-Betuligenol, (S)-Frambinol, Rhododendrol, (+)-, (S)-(+)-Rhododendrol, UNII-5I28TB0QTK, 5I28TB0QTK, (2S)-4-(4-hydroxyphenyl)butan-2-ol, (+)-4-(4-HYDROXYPHENYL)-2-BUTANOL, 4-((3S)-3-hydroxybutyl)phenol, Phadodendrol, Benzenepropanol, 4-hydroxy-alpha-methyl-, (S)-, Benzenepropanol, 4-hydroxy-alpha-methyl-, (alphaS)-, QSPL 156, CHEMBL1778763, SCHEMBL13698055, (s)-4-(4-hydroxyphenyl)-2-butanol, AKOS040762280, EN300-1838685, Q27262249, BENZENEPROPANOL, 4-HYDROXY-.ALPHA.-METHYL-, (S)-, BENZENEPROPANOL, 4-HYDROXY-.ALPHA.-METHYL-, (.ALPHA.S)- |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(3S)-3-hydroxybutyl]phenol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Is Pains | False |
| Molecular Formula | C10H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SFUCGABQOMYVJW-QMMMGPOBSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 3.0 |
| Compound Name | (+)-Rhododendrol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| 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-/m0/s1 |
| Smiles | C[C@@H](CCC1=CC=C(C=C1)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Assamica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Dasycladus Vermicularis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Echinops Transiliensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Haemanthus Amarylloides (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Hedysarum Theinum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Lantana Montevidensis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Muscari Botryoides (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Olearia Pimeleoides (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Salvia Castanea (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Senecio Suaveolens (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Stellaria Holostea (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Teclea Gerrardii (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Thalictrum Flavum (Plant) Rel Props:Source_db:cmaup_ingredients