P-Cresol
PubChem CID: 2879
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| Compound Synonyms | 4-Methylphenol, P-CRESOL, 106-44-5, 4-Cresol, 4-Hydroxytoluene, Phenol, 4-methyl-, p-Methylphenol, para-Cresol, p-Hydroxytoluene, p-Tolyl alcohol, p-Kresol, p-Oxytoluene, p-Toluol, p-Cresylic acid, Paracresol, 1-Hydroxy-4-methylbenzene, p-Methylhydroxybenzene, 1-Methyl-4-hydroxybenzene, Paramethyl phenol, para-Cresylic acid, 4-methyl phenol, Cresol, p-, p-Kresol [German], Cresol, para-, p-Methyl phenol, CRESOL, PARA, Cresol, p-isomer, NSC 3696, CCRIS 647, FEMA No. 2337, p-Cresylate, HSDB 1814, UNII-1MXY2UM8NV, 4-methyl-phenol, 4-methylphenol (p-cresol), Cresol,p-, EINECS 203-398-6, MFCD00002376, Phenol, 4-methyI, DTXSID7021869, AI3-00150, NSC-3696, P-CRESOL [FHFI], P-CRESOL [HSDB], 1MXY2UM8NV, P-CRESOL [MI], CHEMBL16645, DTXCID101869, CHEBI:17847, PARACRESOL [USP IMPURITY], NSC3696, EC 203-398-6, NCGC00091519-04, TOLUENE,4-HYDROXY (PARA-CRESOL), METACRESOL IMPURITY C [EP IMPURITY], p-Cresol [UN2076] [Poison, Corrosive], p-KRESOL (GERMAN), DSSTox_CID_1869, AMYLMETACRESOL IMPURITY D [EP IMPURITY], PARACRESOL (USP IMPURITY), CAS-106-44-5, METACRESOL IMPURITY C (EP IMPURITY), AMYLMETACRESOL IMPURITY D (EP IMPURITY), pHydroxytoluene, pMethylphenol, pMethylphenylol, pOxytoluene, pKresol, pToluol, 4methylphenol, 4Hydroxytoluene, para cresol, pCresylic acid, p-methyl-phenol, p-Methylphenylol, Cresol, pisomer, paraCresylic acid, 4Cresol, Phenol, 4methyl, Cresol, p, para-hydroxytoluene, pMethylhydroxybenzene, 1Hydroxy4methylbenzene, 1Methyl4hydroxybenzene, p-Cresol, 99%, Spectrum_000850, Tolterodine Impurity 6, p-Cresol, High Purity, CRESOL (PARA), P-CRESOL [INCI], Spectrum2_000765, Spectrum4_001740, Spectrum5_000540, SCHEMBL375, 4-Hydroxy-1-methylbenzene, bmse000458, p-Cresol (ACGIH:OSHA), DSSTox_RID_77380, DSSTox_RID_77554, NCIOpen2_001516, Phenol, 4-methyl-(9CI), WLN: QR D1, DSSTox_GSID_24364, DSSTox_GSID_24858, KBioGR_002160, KBioSS_001330, p-Cresol, analytical standard, BIDD:ER0010, DivK1c_000381, SPECTRUM1500209, Cresol, (Mixture of isomers), p-Cresol, >=99%, FG, SPBio_000810, SCHEMBL7812506, SGCUT00097, HMS501D03, KBio1_000381, KBio2_001330, KBio2_003898, KBio2_006466, DTXSID30236875, DTXSID40185628, NINDS_000381, HMS1920A16, HMS2091I04, Pharmakon1600-01500209, p-Cresol, for synthesis, 98.0%, 4-Methylphenol, analytical standard, NSC95259, to_000033, Tox21_113240, Tox21_113445, Tox21_200402, Tox21_201115, Tox21_300029, BDBM50008543, CCG-38990, NSC-95259, NSC756709, STL183323, UN3455, AKOS000119005, Tox21_113445_1, DB01688, FC01590, IDI1_000381, NCGC00013272-01, NCGC00091519-01, NCGC00091519-02, NCGC00091519-03, NCGC00091519-05, NCGC00091519-06, NCGC00091519-07, NCGC00091519-09, NCGC00253980-01, NCGC00257956-01, NCGC00258667-01, TOLUENE,4-HYDROXY (PARA-CRESOL), 4-Methylphenol 10 microg/mL in Methanol, PS-11958, CAS-1319-77-3, p-Cresol, JIS special grade, >=99.0%, SBI-0051322.P003, NS00008242, 4-Methylphenol 100 microg/mL in Cyclohexane, EN300-19427, p-Cresol, puriss. p.a., >=99.0% (GC), C01468, AB00051955_02, Q312251, SR-05000002037, SR-05000002037-1, BRD-K56940914-001-04-2, F1908-0066, Z104473818, Flavor and Extract Manufacturers' Association Number 2337, 2876-02-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | Ccccccc6))O |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Phenols |
| Description | Present in blackcurrant buds, asparagus, cooked cured pork, black tea, fermented tea, yellow passion fruit juice, malt, peated malt, kumazasa (Sasa albo-marginata), lamb's lettuce, squid and cuttlefish. Flavouring ingredient. 4-Methylphenol is found in many foods, some of which are animal foods, cereals and cereal products, tamarind, and tarragon. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cresols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 62.8 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02769, P17988, P22303, P10275, P19224, O60656, Q16236, P10145, P51449, Q9NUW8, Q9NPD5, Q9Y6L6, n.a. |
| Iupac Name | 4-methylphenol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT204 |
| Xlogp | 1.9 |
| Superclass | Benzenoids |
| Subclass | Toluenes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H8O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IWDCLRJOBJJRNH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.1428571428571428 |
| Logs | -0.852 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 1.955 |
| Synonyms | 1-Hydroxy-4-methylbenzene, 1-Methyl-4-hydroxybenzene, 4-(Pentafluorosulfanyl)phenol, 4-Cresol, 4-Hydroxytoluene, 4-Methyl phenol, 4-Methyl-phenol, FEMA 2337, P-Cresol, p-Cresol, 8CI, p-Cresylate, p-Cresylic acid, p-Hydroxytoluene, P-Kresol, p-Methyl phenol, p-Methylhydroxybenzene, P-Methylphenol, p-Oxytoluene, p-Toluol, p-Tolyl alcohol, Para-cresol, Para-cresylic acid, Paracresol, Paramethyl phenol, Phenol, 4-methyl-, Taurylic acid, 4-Methylphenol, p-Kresol, p-Methylphenol, P-Cresylate, P-Cresylic acid, P-Hydroxytoluene, P-Methyl phenol, P-Methylhydroxybenzene, P-Oxytoluene, P-Toluol, 4-Cresol, potassium salt, m-Cresol, 4-Cresol, aluminum salt, 4-Cresol, sodium salt, 4-methylphenol, cresol,p-, p-cresol, p-tolyl alcohol |
| Substituent Name | Nitrotoluene, P-cresol, Phenol, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | P-Cresol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 108.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 108.058 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 108.14 |
| 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 | -2.287668 |
| Inchi | InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3 |
| Smiles | CC1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Para cresols |
- 1. Outgoing r'ship
FOUND_INto/from Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Angelica Archangelica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.10554246 - 5. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Aquilaria Malaccensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700468 - 8. Outgoing r'ship
FOUND_INto/from Artemisia Capillaries (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Artemisia Macrocephala (Plant) Rel Props:Reference:ISBN:9788185042084 - 12. Outgoing r'ship
FOUND_INto/from Asparagus Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all - 13. Outgoing r'ship
FOUND_INto/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1563 - 14. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 15. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 16. Outgoing r'ship
FOUND_INto/from Chamaecyparis Formosensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172362140; ISBN:9788185042114 - 18. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:fooddb_chem_all - 19. Outgoing r'ship
FOUND_INto/from Cocos Nucifera (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788185042084 - 20. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Source_db:fooddb_chem_all - 21. Outgoing r'ship
FOUND_INto/from Commiphora Myrrha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712111 - 23. Outgoing r'ship
FOUND_INto/from Dipsacus Asperoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Dysphania Ambrosioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712118 - 25. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199701)12:1<15::aid-ffj604>3.0.co;2-5 - 27. Outgoing r'ship
FOUND_INto/from Eucalyptus Camaldulensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1420554 - 28. Outgoing r'ship
FOUND_INto/from Euryale Ferox (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1595165 - 29. Outgoing r'ship
FOUND_INto/from Fagopyrum Esculentum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Gliricidia Sepium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1008231 - 31. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050305 - 32. Outgoing r'ship
FOUND_INto/from Handroanthus Impetiginosus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1345 - 33. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Illicium Griffithii (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698561 - 35. Outgoing r'ship
FOUND_INto/from Jasminum Officinale (Plant) Rel Props:Reference:ISBN:9788171360536 - 36. Outgoing r'ship
FOUND_INto/from Lawsonia Inermis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698554 - 37. Outgoing r'ship
FOUND_INto/from Maclura Pomifera (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1763 - 38. Outgoing r'ship
FOUND_INto/from Magnolia Champaca (Plant) Rel Props:Reference:ISBN:9788183602525 - 39. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701073 - 40. Outgoing r'ship
FOUND_INto/from Mimusops Elengi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698425 - 41. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 42. Outgoing r'ship
FOUND_INto/from Narcissus Tazetta (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1989.9697755 - 43. Outgoing r'ship
FOUND_INto/from Oenanthe Javanica (Plant) Rel Props:Reference:ISBN:9788185042114 - 44. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Reference:ISBN:9770972795006 - 45. Outgoing r'ship
FOUND_INto/from Persicaria Bistorta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662600 - 46. Outgoing r'ship
FOUND_INto/from Petiveria Alliacea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700996 - 47. Outgoing r'ship
FOUND_INto/from Physalis Alkekengi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 48. Outgoing r'ship
FOUND_INto/from Pimpinella Anisum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 49. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 50. Outgoing r'ship
FOUND_INto/from Prunus Cerasus (Plant) Rel Props:Source_db:fooddb_chem_all - 51. Outgoing r'ship
FOUND_INto/from Prunus Dulcis (Plant) Rel Props:Source_db:fooddb_chem_all - 52. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 53. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199601)11:1<57::aid-ffj549>3.0.co;2-k - 54. Outgoing r'ship
FOUND_INto/from Rubus Idaeus (Plant) Rel Props:Source_db:fooddb_chem_all - 55. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 56. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Source_db:fooddb_chem_all - 57. Outgoing r'ship
FOUND_INto/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all - 58. Outgoing r'ship
FOUND_INto/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:fooddb_chem_all;npass_chem_all - 59. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699492