This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Orcinol

PubChem CID: 10436

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms Orcinol, 3,5-Dihydroxytoluene, 504-15-4, 5-methylbenzene-1,3-diol, 5-METHYLRESORCINOL, 1,3-Dihydroxy-5-methylbenzene, Orcin, 1,3-Benzenediol, 5-methyl-, 5-Methyl-1,3-benzenediol, 5-Methylresorcin, 3-Hydroxy-5-methylphenol, 3,5-Toluenediol, Resorcinol, 5-methyl-, Orcinol, 5-methylresorcinol, 5-Methyl Resorcinol, Oricinol, MFCD00002291, NSC 12441, Orcine, 5-Methyl-1,3-dihydroxybenzene, CHEBI:16536, EINECS 207-984-2, BRN 1071903, UNII-534PMB3438, AI3-23954, 3,5-Dihydroxy-toluene, ORCINOL [MI], NSC-12441, 534PMB3438, 5-Methylresorcinol anhydrous, 5-Methyl-benzene-1,3-diol, DTXSID2060123, 4-06-00-05892 (Beilstein Handbook Reference), orzin, Orcinol anhydrous, 5methylresorcin, 5Methylresorcinol, 5-methyl-resorcinol, 3,5Dihydroxytoluene, Resorcinol, 5methyl, resorcinol monohydrate, 3Hydroxy5methylphenol, Orcinol, 97%, 5Methyl1,3benzenediol, 1,3Benzenediol, 5methyl, Orcinol, 5methylresorcinol, 5-methylbenzen-1,3-diol, 1,3Dihydroxy5methylbenzene, WLN: QR CQ E1, SCHEMBL68497, 5-Methylresorcinol, anhydrous, 3,5-Dihydroxytoluene Anhydrous, CHEMBL110059, DTXCID0040830, HY-D0168, NSC12441, BBL027377, BDBM50104667, c0155, s9329, STL146540, AKOS000280922, 1,5-DIHYDROXY-3-METHYLBENZENE, CCG-266088, CS-W008652, FD33936, AC-10290, AS-14515, SY002780, DB-022064, M0426, M1235, NS00032059, EN300-67390, C00727, H11838, Q412476, F0001-1314, Z1079442080, Orcinol, 5-Methylresorcinol, 1,?3-?Dihydroxy-?5-?methylbenzene, 1,3-Dihydroxy-5-methylbenzene, 3,5-Dihydroxytoluene, 5-Methylresorcinol, 952516-02-8
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Deep Smiles CcccO)ccc6)O
Heavy Atom Count 9.0
Classyfire Class Phenols
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Benzenediols
Isotope Atom Count 0.0
Molecular Complexity 82.9
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P08487, P14679, P10253
Iupac Name 5-methylbenzene-1,3-diol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Benzenoids
Xlogp 1.6
Gsk 4 400 Rule True
Molecular Formula C7H8O2
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key OIPPWFOQEKKFEE-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.1428571428571428
Logs 0.041
Rotatable Bond Count 0.0
Logd 1.694
Synonyms orcinol
Esol Class Soluble
Functional Groups cO
Compound Name Orcinol
Prediction Hob Swissadme 0.0
Exact Mass 124.052
Formal Charge 0.0
Monoisotopic Mass 124.052
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 124.14
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -2.098395133333333
Inchi InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
Smiles CC1=CC(=CC(=C1)O)O
Nring 1.0
Defined Bond Stereocenter Count 0.0
Egan Rule True

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Confusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Astragalus Pectinatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Bassia Scoparia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644076
  • 4. Outgoing r'ship FOUND_IN to/from Calypogeia Integristipula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Cirsium Brevistylum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Coffea Pseudozanguebariae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Curculigo Orchioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Dactylorhiza Viridis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Davallia Mariesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Desmodium Oxyphyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Erica Arborea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Erica Umbellata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Fleischmannia Hymenophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Gentiana Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Ginkgo Biloba (Plant) Rel Props:Source_db:npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Gloriosa Superba (Plant) Rel Props:Reference:ISBN:9770972795006
  • 17. Outgoing r'ship FOUND_IN to/from Gymnadenia Albida (Plant) Rel Props:Source_db:npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Hemerocallis Fulva (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Isodon Lihsienensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Phoebe Clemensii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Pilosella Officinarum (Plant) Rel Props:Source_db:npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Putterlickia Verrucosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Roystonea Regia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Rumex Patientia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Solanum Coccineum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Usnea Longissima (Plant) Rel Props:Source_db:npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Vernonia Condensata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
Back to Browse   Back to Home