Salicyl Alcohol
PubChem CID: 5146
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | salicyl alcohol, 2-HYDROXYBENZYL ALCOHOL, 90-01-7, 2-(Hydroxymethyl)phenol, Saligenin, Benzenemethanol, 2-hydroxy-, o-Hydroxybenzyl alcohol, Saligenol, 2-Methylolphenol, 2-Hydroxymethylphenol, Diathesin, o-Methylolphenol, o-(Hydroxymethyl)phenol, 2-Hydroxybenzenemethanol, Salicylalkohol, Salicain, salicylic alcohol, alpha-Hydroxy-o-cresol, Benzyl alcohol, o-hydroxy-, alpha,2-Dihydroxytoluene, 2-Hydroxybenzylalcohol, 2-Hydroxybenzylalkohol, Salicyl alcohol [USAN], NSC 3814, MFCD00004617, NSC-3814, EINECS 201-960-5, BRN 1907195, FA1N0842KB, DTXSID9045843, CHEBI:16464, AI3-03990, Salicyl alcohol (USAN), .alpha.-Hydroxy-o-cresol, .alpha.,2-Dihydroxytoluene, SALICYL ALCOHOL [MI], DTXCID7025843, SALICYL ALCOHOL [MART.], SALICYL ALCOHOL [WHO-DD], TOLUENE,ALPHA,2-DIHYDROXY, 4-06-00-05896 (Beilstein Handbook Reference), NCGC00094779-01, SALICYL ALCOHOL (MART.), 2-methylol phenol, CAS-90-01-7, 2-monomethylolphenol, salicylalcohol, salicylsaure, UNII-FA1N0842KB, oMethylolphenol, Saligenine, salicyl-alcohol, 2Methylolphenol, alphaHydroxyocresol, 2Hydroxymethylphenol, 2Hydroxybenzylalkohol, oHydroxybenzyl alcohol, 2hydroxybenzyl alcohol, 2Hydroxybenzenemethanol, o(Hydroxymethyl)phenol, 2-hydoxybenzyl alcohol, 2-hydroxymethyl-phenol, 2-Hydroxymethyl phenol, alpha,2Dihydroxytoluene, Spectrum_000944, Benzyl alcohol, ohydroxy, 2-hydroxy benzyl alcohol, Benzenemethanol, 2hydroxy, Spectrum2_001311, Spectrum3_000896, Spectrum4_000991, Spectrum5_001190, 2-(hydroxymethyl)-phenol, phenol, 2-hydroxymethyl-, bmse000768, SCHEMBL15639, BSPBio_002510, KBioGR_001421, KBioSS_001424, DivK1c_000657, SPECTRUM1500531, SPBio_001401, 2-Hydroxybenzyl alcohol, 99%, CHEMBL280802, HMS502A19, KBio1_000657, KBio2_001424, KBio2_003992, KBio2_006560, KBio3_001812, NSC3814, NINDS_000657, HMS1920P12, HMS2092G13, Pharmakon1600-01500531, HY-B1419, Tox21_111330, CCG-39249, NSC757317, s5562, STL183340, AKOS000249109, Tox21_111330_1, 2-Hydroxybenzyl alcohol Salicyl alcohol, BS-3756, CS-4863, FS67470, NSC-757317, O-Hydroxybenzyl alcohol, Salicyl alcohol, IDI1_000657, NCGC00094779-02, NCGC00094779-03, NCGC00094779-05, SY012296, SBI-0051508.P003, DB-057178, H0223, NS00014668, EN300-39020, C02323, D05790, O10523, AB00052088_02, Q411687, SR-05000002088, 2-Hydroxybenzyl alcohol, purum, >=98.0% (HPLC), SR-05000002088-1, BRD-K08493205-001-02-3, BRD-K08493205-001-04-9, F0001-2205, Z335244902, 201-960-5, 27134-47-0 |
|---|---|
| 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 | OCcccccc6O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Salicyl alcohol, also known as saligenin or 2-hydroxybenzyl alcohol, is a member of the class of compounds known as benzyl alcohols. Benzyl alcohols are organic compounds containing the phenylmethanol substructure. Salicyl alcohol is soluble (in water) and a very weakly acidic compound (based on its pKa). Salicyl alcohol can be synthesized from phenol and benzyl alcohol. Salicyl alcohol can also be synthesized into salicin. Salicyl alcohol can be found in a number of food items such as red huckleberry, rye, jerusalem artichoke, and ceylon cinnamon, which makes salicyl alcohol a potential biomarker for the consumption of these food products. Salicyl alcohol (saligenin) is precursor of salicylic acid and is formed from salicin by enzymatic hydrolysis by Salicyl-alcohol beta-D-glucosyltransferase or by acid hydrolysis . |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzyl alcohols |
| 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 |
| Uniprot Id | Q9Y6L6, Q9NPD5, n.a., P0DTD1, Q2KJ64 |
| Iupac Name | 2-(hydroxymethyl)phenol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.7 |
| Superclass | Benzenoids |
| Subclass | Benzyl alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H8O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQRYARSYNCAZFO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.1428571428571428 |
| Logs | -0.076 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 0.903 |
| Synonyms | 2-(Hydroxymethyl)phenol, Saligenin, 2-Monomethylolphenol, O-Hydroxybenzyl alcohol, Salicyl alcohol, monosodium salt, Salicyl alcohol, disodium salt, 2-Methylol phenol, Salicyl alcohol, (ar)-isomer, 2-Hydroxybenzyl alcohol, Salicyl alcohol, salicyl alcohol, saligenin |
| Esol Class | Very soluble |
| Functional Groups | CO, cO |
| Compound Name | Salicyl Alcohol |
| 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 | -1.4968951333333331 |
| Inchi | InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2 |
| Smiles | C1=CC=C(C(=C1)CO)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Benzyl alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Abies Veitchii (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Datisca Cannabina (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Gardenia Jasminoides (Plant) Rel Props:Reference:ISBN:9788172362300 - 4. Outgoing r'ship
FOUND_INto/from Paeonia Delavayi (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Paeonia Emodi (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Paeonia Lactiflora (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Paeonia Obovata (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Paeonia Officinalis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Paeonia Rockii (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Paeonia Suffruticosa (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Paeonia Veitchii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Populus Deltoides (Plant) Rel Props:Reference:ISBN:9788172362461 - 13. Outgoing r'ship
FOUND_INto/from Salix Caprea (Plant) Rel Props:Reference:ISBN:9788172363093; ISBN:9788185042145 - 14. Outgoing r'ship
FOUND_INto/from Tragia Cannabina (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Trema Cannabina (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Urtica Ardens (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Urtica Cannabina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Urtica Dioica (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Urtica Hyperborea (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Urtica Magellanica (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Urtica Parviflora (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Urtica Pilulifera (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Urtica Triangularis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Urtica Urens (Plant) Rel Props:Reference: