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3',4-Dihydroxy-3,5'-dimethoxybibenzyl

PubChem CID: 10221179

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Compound Synonyms 83088-28-2, Phenol, 4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxy-, 3',4-dihydroxy-3,5'-dimethoxybibenzyl, 4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol, CHEMBL219553, DTXSID101287414, IDA08828, BDBM50346823, HY-N10549, CS-0610782, NS00097428, 3a(2),4-Dihydroxy-3,5a(2)-dimethoxybibenzyl, E88569, 4-(3-Hydroxy-5-methoxyphenethyl)-2-methoxyphenol, NCGC00386002-01!4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol
Topological Polar Surface Area 58.9
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 284.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol
Prediction Hob 1.0
Xlogp 2.7
Molecular Formula C16H18O4
Prediction Swissadme 0.0
Inchi Key BMSPEISBKGSBTR-UHFFFAOYSA-N
Fcsp3 0.25
Logs -3.408
Rotatable Bond Count 5.0
Logd 3.428
Compound Name 3',4-Dihydroxy-3,5'-dimethoxybibenzyl
Prediction Hob Swissadme 0.0
Exact Mass 274.121
Formal Charge 0.0
Monoisotopic Mass 274.121
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 274.31
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.5636591999999996
Inchi InChI=1S/C16H18O4/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-15(18)16(9-11)20-2/h5-10,17-18H,3-4H2,1-2H3
Smiles COC1=CC(=CC(=C1)O)CCC2=CC(=C(C=C2)O)OC
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Bletilla Formosana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Corydalis Conspersa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Dendrobium Densiflorum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Gynochthodes Parvifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Ligustrum Ovalifolium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Mespilus Germanica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Mikania Luetzelburgii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Nidema Boothii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Pittosporum Brevicalyx (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Sideritis Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Solanum Euacanthum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Ungernia Victoris (Plant) Rel Props:Source_db:cmaup_ingredients
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