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5-(2-(3-Hydroxy-4-methoxyphenyl)ethyl)benzene-1,3-diol

PubChem CID: 11459623

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Compound Synonyms EWL7W9HQR5, 3,3',5'-trihydroxy-4-methoxybibenzyl, 60640-97-3, Dihydro-3,5,3-trihydroxy-4-methoxystilbene, UNII-EWL7W9HQR5, Resorcinol, 5-(3-hydroxy-4-methoxyphenethyl)-, 5-(2-(3-Hydroxy-4-methoxyphenyl)ethyl)benzene-1,3-diol, alpha,alpha'-Dihydro-3,5,3'-trihydroxy-4-methoxystilbene, 1,3-Benzenediol, 5-(2-(3-hydroxy-4-methoxyphenyl)ethyl)-, 1,3-Benzenediol, 5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-, CHEMBL110154, SCHEMBL11505104, DTXSID80466600
Topological Polar Surface Area 69.9
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 261.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]benzene-1,3-diol
Prediction Hob 1.0
Xlogp 2.4
Molecular Formula C15H16O4
Prediction Swissadme 0.0
Inchi Key XYWLGCOVGGWHHO-UHFFFAOYSA-N
Fcsp3 0.2
Logs -2.586
Rotatable Bond Count 4.0
Logd 3.173
Compound Name 5-(2-(3-Hydroxy-4-methoxyphenyl)ethyl)benzene-1,3-diol
Prediction Hob Swissadme 0.0
Exact Mass 260.105
Formal Charge 0.0
Monoisotopic Mass 260.105
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 260.279
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.3644602210526307
Inchi InChI=1S/C15H16O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h4-9,16-18H,2-3H2,1H3
Smiles COC1=C(C=C(C=C1)CCC2=CC(=CC(=C2)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Pittosporum Undulatum (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Plagiomnium Undulatum (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Rheum Australe (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Rheum Coreanum (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Rheum Emodi (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Rheum Hotaoense (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Rheum Maximowiczii (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Rheum Moorcrofianum (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Rheum Moorcroftianum (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Rheum Nanum (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Rheum Officinale (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Rheum Palmatum (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Rheum Qinlingense (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Rheum Rhaponticum (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Rheum Sp (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Rheum Spiciforme (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Rheum Tanguticum (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Rheum Undulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Rheum Webbianum (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Rheum Wittrocki (Plant) Rel Props:Reference:
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