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Guaiacol

PubChem CID: 460

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Compound Synonyms guaiacol, 2-Methoxyphenol, 90-05-1, o-Methoxyphenol, 2-Hydroxyanisole, Guaiastil, Pyroguaiac acid, o-Guaiacol, o-Hydroxyanisole, Phenol, 2-methoxy-, Pyrocatechol monomethyl ether, 1-Hydroxy-2-methoxybenzene, Anastil, Guaicol, Phenol, o-methoxy-, Methylcatechol, Guaicolina, Guajol, Guasol, O-Methyl catechol, Catechol monomethyl ether, Creodon, Guajakol, 2-Methoxy-Phenol, Methoxyphenol, Guajacol, Wood creosote, FEMA No. 2532, Guaiacol (natural), Pyrocatechol methyl ester, (mu)-methoxyphenol, Guaiacol [JAN], NSC 3815, Methylcatachol, CCRIS 2943, 9009-62-5, HSDB 4241, 2-methoxyl-4-vinylphenol, UNII-6JKA7MAH9C, o--methoxyphenol, 6JKA7MAH9C, 2-methoxy phenol, NSC-3815, EINECS 201-964-7, MFCD00002185, Guaiacol (JAN), Creodon (TN), CHEBI:28591, AI3-05615, Catechol mono methyl ether, 2-methoxyphenol (guaiacol), 2-Methoxy-d3-phenol--d4, CHEMBL13766, DTXSID0023113, EC 201-964-7, Phenol, methoxy-, NCGC00090827-02, NCGC00090827-04, GUAIACOL (MART.), GUAIACOL [MART.], GUAIACOL (USP-RS), GUAIACOL [USP-RS], Guajakol [Czech], DTXCID003113, GUAIACOL (EP MONOGRAPH), GUAIACOL (USP IMPURITY), GUAIACOL [EP MONOGRAPH], GUAIACOL [USP IMPURITY], ortho-Guaiacol, Catechol, Methyl, CAS-90-05-1, 2-Hydroxy-Anisole, GUAIFENESIN IMPURITY A (EP IMPURITY), GUAIFENESIN IMPURITY A [EP IMPURITY], Guaiacol [JAN:NF], SR-01000838056, Guaiacol (2-Methoxyphenol), guiacol, Creasote, methoxy phenol, 6-methoxyphenol, hydroxyl anisole, o-Guiacol, orthomethoxyphenol, o-methoxy-Phenol, ortho-methoxyphenol, Guaiacol,(S), JZ3, Guaiacol (Standard), 2-(methyloxy)phenol, O-HYDROXYANIOSOLE, GUAIACOL [FHFI], GUAIACOL [HSDB], GUAIACOL [MI], GUAIACOL [VANDF], O-METHOXY CATECHOL, DSSTox_CID_3113, bmse000436, bmse010027, GUAIACOL [WHO-DD], Guaiacol, puriss., 99%, WLN: QR BO1, DSSTox_RID_77552, 3-methoxy-4-hydroxy benzene, DSSTox_GSID_24853, SCHEMBL21626, ghl.PD_Mitscher_leg0.900, guaiacol (liquid) extra pure, Guaiacol, oxidation indicator, FEMA No 2532, MLS001055375, HY-N1380R, NSC3815, Guaiacol, natural, >=99%, FG, HMS2089D18, HMS2233P04, HMS3372N11, HMS3715E11, Pharmakon1600-01506165, BCP27082, CS-D1347, HY-N1380, STR03604, Tox21_111031, Tox21_201136, Tox21_202990, Tox21_400004, BDBM50240369, NSC760376, s3872, STL281868, AKOS000118831, CCG-214035, DB11359, FM25315, NSC-760376, PB43791, PS-3252, Guaiacol, SAJ first grade, >=98.0%, NCGC00090827-01, NCGC00090827-03, NCGC00090827-05, NCGC00090827-06, NCGC00090827-07, NCGC00258688-01, NCGC00260535-01, AC-34997, Guaiacol, Vetec(TM) reagent grade, 98%, SMR000059155, SY048708, CAS-8021-39-4, DB-024854, M0121, NS00010812, EN300-19498, C01502, D00117, F70227, 2-Methoxyphenol, o-Methoxyphenol, 2-Hydroxyanisole, AB00876226-06, AB00876226_07, A843426, Q412403, SR-01000838056-2, SR-01000838056-3, BRD-K96282009-001-08-8, F2173-0425, Guaiacol, European Pharmacopoeia (EP) Reference Standard, Z104474028, Guaiacol, United States Pharmacopeia (USP) Reference Standard, InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H, Guaiacol, Pharmaceutical Secondary Standard, Certified Reference Material, o-Methoxy-phenol, 1-Hydroxy-2-methoxybenzene, 2-Hydroxyanisole, Guaiacol, 201-964-7
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Deep Smiles COcccccc6O
Heavy Atom Count 9.0
Classyfire Class Phenols
Description Present in Parmesan cheese, tea and soybean. Flavouring ingredient. 2-Methoxyphenol is found in many foods, some of which are milk and milk products, asparagus, pepper (c. annuum), and wild celery.
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Methoxyphenols
Isotope Atom Count 0.0
Molecular Complexity 83.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Enzyme Uniprot Id Q8WZ04
Uniprot Id P21964, Q8WZ04, P00915, P00918, P16473, P15917, P00811, P04637, P29477, P14780, P03956, P08253, P09917, P22894, O42713, P08254, Q16236, Q96KQ7, Q96QE3, P10275, Q9R1A7, P51449, O95342, n.a., Q03181, P05412
Iupac Name 2-methoxyphenol
Prediction Hob 1.0
Class Benzene and substituted derivatives
Veber Rule True
Classyfire Superclass Benzenoids
Target Id NPT947, NPT233, NPT210, NPT539
Xlogp 1.3
Superclass Benzenoids
Subclass Phenols and derivatives
Gsk 4 400 Rule True
Molecular Formula C7H8O2
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key LHGVFZTZFXWLCP-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.1428571428571428
Logs -0.685
Rotatable Bond Count 1.0
State Liquid
Logd 1.367
Synonyms 1-Hydroxy-2-methoxybenzene, 2-Hydroxy-Anisole, 2-Hydroxyanisole, 2-methoxy-Phenol, Anastil, Catechol methyl ether, Catechol monomethyl ether, Creodon, FEMA 2532, Guaiacol, Guaiacol (liquid) extra pure, Guaiastil, Guaicol, Guaicolina, Guajakol, Guajol, Guasol, Guiacol, Methoxyphenol, Methyl catechol, Methylcatachol, Methylcatechol, O-guaiacol, O-guiacol, o-Hydroxyanisole, O-methoxy-phenol, O-methoxyphenol, O-methyl catechol, Ortho-guaiacol, Phenol, 2-methoxy-, Phenol, methoxy-, Phenol, o-methoxy-, Pyrocatechol monomethyl ether, Pyroguaiac acid, Creosote, wood, O-Methoxyphenol, 2-Methoxyphenol, 2-Methoxy-phenol, O-Guaiacol, O-Hydroxyanisole, O-Methoxy-phenol, O-Methyl catechol, 2-Hydroxy-anisole, Catechol, methyl, 2-Methoxyl-4-vinylphenol, 2-methoxy phenol, 2-methoxy-phenol, 2-methoxyphenol, guaiacol, guaicol, guiacol, methoxyphenol
Substituent Name Methoxyphenol, Methoxybenzene, Phenol ether, Anisole, Alkyl aryl ether, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound
Esol Class Very soluble
Functional Groups cO, cOC
Compound Name Guaiacol
Kingdom Organic compounds
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
Molecular Framework Aromatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -1.8685951333333328
Inchi InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
Smiles COC1=CC=CC=C1O
Nring 1.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Methoxyphenols
Np Classifier Superclass Phenylpropanoids (C6-C3)

  • 1. Outgoing r'ship FOUND_IN to/from Acorus Tatarinowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Alpinia Calcarata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1126534
  • 6. Outgoing r'ship FOUND_IN to/from Alpinia Galanga (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1126534
  • 7. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Apium Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Aquilaria Agallocha (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698252
  • 12. Outgoing r'ship FOUND_IN to/from Arabidopsis Thaliana (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/15259358
  • 13. Outgoing r'ship FOUND_IN to/from Araucaria Cunninghamii (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701065
  • 14. Outgoing r'ship FOUND_IN to/from Asparagus Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Averrhoa Bilimbi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9700533
  • 18. Outgoing r'ship FOUND_IN to/from Banisteriopsis Caapi (Plant) Rel Props:Source_db:npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1563
  • 21. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Campsis Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730040304
  • 23. Outgoing r'ship FOUND_IN to/from Cannabis Sativa (Plant) Rel Props:Reference:ISBN:9788172363130; ISBN:9788185042053
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  • 25. Outgoing r'ship FOUND_IN to/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172362140; ISBN:9788185042114
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  • 27. Outgoing r'ship FOUND_IN to/from Cinnamomum Impressinervium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698360
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  • 29. Outgoing r'ship FOUND_IN to/from Coffea Canephora (Plant) Rel Props:Source_db:npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Colocasia Esculenta (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700849
  • 31. Outgoing r'ship FOUND_IN to/from Cupressus Funebris (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1676
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  • 33. Outgoing r'ship FOUND_IN to/from Cyphomandra Betacea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.10554261
  • 34. Outgoing r'ship FOUND_IN to/from Epimedium Wushanense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Eucalyptus Globulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 37. Outgoing r'ship FOUND_IN to/from Garcinia Purpurea (Plant) Rel Props:Source_db:npass_chem_all
  • 38. Outgoing r'ship FOUND_IN to/from Geum Macrophyllum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100309
  • 39. Outgoing r'ship FOUND_IN to/from Geum Urbanum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100309
  • 40. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9780896038776
  • 41. Outgoing r'ship FOUND_IN to/from Handroanthus Impetiginosus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1345
  • 42. Outgoing r'ship FOUND_IN to/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060310
  • 43. Outgoing r'ship FOUND_IN to/from Hemidesmus Indicus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699914
  • 44. Outgoing r'ship FOUND_IN to/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108
  • 45. Outgoing r'ship FOUND_IN to/from Hymenocallis Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 46. Outgoing r'ship FOUND_IN to/from Ipomoea Batatas (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.809320
  • 47. Outgoing r'ship FOUND_IN to/from Isatis Tinctoria (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700377
  • 48. Outgoing r'ship FOUND_IN to/from Leea Indica (Plant) Rel Props:Reference:ISBN:9770972795006
  • 49. Outgoing r'ship FOUND_IN to/from Litchi Chinensis (Plant) Rel Props:Reference:ISBN:9770972795006
  • 50. Outgoing r'ship FOUND_IN to/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 51. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 52. Outgoing r'ship FOUND_IN to/from Muntingia Calabura (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700655
  • 53. Outgoing r'ship FOUND_IN to/from Myrtus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699849
  • 54. Outgoing r'ship FOUND_IN to/from Nicotiana Tabacum (Plant) Rel Props:Reference:ISBN:9788172361150
  • 55. Outgoing r'ship FOUND_IN to/from Oryza Sativa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/12974407
  • 56. Outgoing r'ship FOUND_IN to/from Paederia Foetida (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090106
  • 57. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 58. Outgoing r'ship FOUND_IN to/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699491
  • 59. Outgoing r'ship FOUND_IN to/from Pandanus Tectorius (Plant) Rel Props:Reference:ISBN:9788172361266
  • 60. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/15461141
  • 61. Outgoing r'ship FOUND_IN to/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 62. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699650
  • 63. Outgoing r'ship FOUND_IN to/from Piper Wallichii (Plant) Rel Props:Reference:ISBN:9788185042138
  • 64. Outgoing r'ship FOUND_IN to/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 65. Outgoing r'ship FOUND_IN to/from Quercus Robur (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/14664527
  • 66. Outgoing r'ship FOUND_IN to/from Scopolia Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 67. Outgoing r'ship FOUND_IN to/from Sesamum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 68. Outgoing r'ship FOUND_IN to/from Solanum Melongena (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17133768
  • 69. Outgoing r'ship FOUND_IN to/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933
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  • 72. Outgoing r'ship FOUND_IN to/from Tamarindus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700886
  • 73. Outgoing r'ship FOUND_IN to/from Tragopogon Porrifolius (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/20401798
  • 74. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/19027988
  • 75. Outgoing r'ship FOUND_IN to/from Vanilla Planifolia (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 76. Outgoing r'ship FOUND_IN to/from Viscum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701029
  • 77. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3313
  • 78. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699492
  • 79. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all
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