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(+)-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)-
Prediction Swissadme 1.0
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Inchi Key SFUCGABQOMYVJW-QMMMGPOBSA-N
Fcsp3 0.4
Rotatable Bond Count 3.0
Heavy Atom Count 12.0
Compound Name (+)-Rhododendrol
Prediction Hob Swissadme 1.0
Exact Mass 166.099
Formal Charge 0.0
Monoisotopic Mass 166.099
Isotope Atom Count 0.0
Molecular Complexity 117.0
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 166.22
Database Name cmaup_ingredients;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 1.0
Iupac Name 4-[(3S)-3-hydroxybutyl]phenol
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Prediction Hob 1.0
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
Xlogp 1.9
Defined Bond Stereocenter Count 0.0
Molecular Formula C10H14O2

  • 1. Outgoing r'ship FOUND_IN to/from Avena Sativa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Dalbergia Assamica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Dasycladus Vermicularis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Echinops Transiliensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Haemanthus Amarylloides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Hedysarum Theinum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Lantana Montevidensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Muscari Botryoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Olearia Pimeleoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Salvia Castanea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Senecio Suaveolens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Stellaria Holostea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Teclea Gerrardii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Thalictrum Flavum (Plant) Rel Props:Source_db:cmaup_ingredients
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