p-Methyl acetophenone
PubChem CID: 8500
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4'-Methylacetophenone, 122-00-9, 1-(p-Tolyl)ethanone, p-Methylacetophenone, 1-(4-Methylphenyl)ethanone, 1-p-Tolylethanone, Melilotal, p-Methyl acetophenone, Methyl p-tolyl ketone, 4-METHYLACETOPHENONE, 4-Acetyltoluene, p-Acetotoluene, p-Acetyltoluene, Ethanone, 1-(4-methylphenyl)-, 1-Acetyl-4-methylbenzene, Acetophenone, 4'-methyl-, 1-Methyl-4-acetylbenzene, 4-Methylphenyl methyl ketone, 1-(4-Methylphenyl)ethan-1-one, FEMA No. 2677, Tolyl methyl ketone, p-, NSC 9401, 1-P-TOLYL-ETHANONE, EINECS 204-514-8, AX66V0KX3Y, MFCD00008751, 4-methyl acetophenone, DTXSID9044374, AI3-00734, 4'-Methyl acetophenone, METHYLACETOPHENONE, para-Methyl-acetophenone, NSC-9401, METHYL-P-TOLYL KETONE, (4-Methylphenyl) methyl ketone, DTXCID7024374, EC 204-514-8, 4-METHYL ACETOPHENONE [FCC], 4'-METHYLACETOPHENONE [FHFI], acetophenone, p-methyl-, para-methyl acetophenone, UNII-AX66V0KX3Y, pAcetotoluene, pAcetyltoluene, Esberiven, Melilot, 1pTolylethanone, Yellow melilot, Sweet clover, FEMA 2677, pMethylacetophenone, 4-tolylmethylketone, pMethyl acetophenone, Yellow sweet clover, 4-methylacteophenone, Methyl ptolyl ketone, p- methylacetophenone, p-methyl-acetophenone, 1Acetyl4methylbenzene, 1Methyl4acetylbenzene, nchem.328-comp4a, 4?-Methylacetophenone, p-tolyl methyl ketone, p- Methyl acetophenone, 4'-methyl-acetophenone, 1-(p-tolyl)-ethanone, 4\'-Methylacetophenone, Acetophenone, 4'methyl, Tolyl methyl ketone, p, Para Methyl Acetophenone, (4-Methylphenyl)ethanone, 1(4Methylphenyl)ethanone, 4Methylphenyl methyl ketone, Ethanone, 1(4methylphenyl), SCHEMBL55409, 1-(4-methylphenyl)-ethanone, 4'-Methylacetophenone, 95%, WLN: 1VR D1, 1-(4-Methylphenyl)ethanone #, CHEMBL271871, 1-(4-methylphenyl)-1-ethanone, NSC9401, CHEBI:178626, 1-(4-Methylphenyl)ethanone, 9CI, Tox21_302023, P-METHYL ACETOPHENONE [INCI], STL146461, AKOS000119027, CS-W013369, FM31610, HY-W012653, NCGC00255943-01, AC-26823, AS-12910, CAS-122-00-9, PD158295, 4'-Methylacetophenone, analytical standard, 4'-Methylacetophenone, >=95%, FCC, FG, DB-012815, M0135, NS00010667, EN300-17994, D70502, 4'-Methylacetophenone, purum, >=96.0% (GC), 4-Acetyltoluene, 1-(4-methylphenyl)ethan-1-one, doi:10.14272/GNKZMNRKLCTJAY-UHFFFAOYSA-N.1, Q2816673, 4'-Methylacetophenone, Vetec(TM) reagent grade, 94%, Z57127458, F9995-0065, 204-514-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | Ccccccc6))C=O)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Present in sour cherry, orange, grapefruit peel, blackcurrants, guava, peach, other fruits, celery, potato, tomato, pepper, parsley, smoked fish, cognac, Parmesan cheese and other foodstuffs. Flavouring ingredient. 4'-Methylacetophenone is found in many foods, some of which are green vegetables, herbs and spices, garden tomato, and potato. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P23457 |
| Iupac Name | 1-(4-methylphenyl)ethanone |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.1 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GNKZMNRKLCTJAY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.2222222222222222 |
| Logs | -2.145 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 2.105 |
| Synonyms | (4-Methylphenyl) methyl ketone, (4-Methylphenyl)ethanone, 1-(4-Methylphenyl)-ethanone, 1-(4-Methylphenyl)ethanone, 1-(4-Methylphenyl)ethanone, 9CI, 1-Acetyl-4-methylbenzene, 1-Methyl-4-acetylbenzene, 1-p-Tolylethanone, 4-Acetyltoluene, 4-Methylacetophenone, 4-Methylphenyl methyl ketone, 4'-Methyl-acetophenone, Acetophenone, 4'-methyl-, Esberiven, Ethanone, 1-(4-methylphenyl)-, FEMA 2677, Melilot, Melilotal, Methyl p-tolyl ketone, nchem.328-comp4a, P-acetotoluene, p-Acetyltoluene, P-methyl acetophenone, P-methylacetophenone, P-Tolyl methyl ketone, Para-methyl-acetophenone, Sweet clover, Tolyl methyl ketone, p-, Yellow melilot, Yellow sweet clover, 1-P-Tolylethanone, 1-(4-Methylphenyl)ethanone, 9ci, Methyl P-tolyl ketone, Nchem.328-comp4a, P-Acetotoluene, P-Acetyltoluene, P-Methyl acetophenone, P-Methylacetophenone, 3- or 4-methylacetophenone, p-methyl acetophenone, p-methylacetophenon, p-methylacetophenone |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O |
| Compound Name | p-Methyl acetophenone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 134.17 |
| 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 | -2.3729036000000003 |
| Inchi | InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3 |
| Smiles | CC1=CC=C(C=C1)C(=O)C |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Alkyl-phenylketones |
- 1. Outgoing r'ship
FOUND_INto/from Alkanna Cappadocica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Atalantia Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Buddleja Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1563 - 6. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Carissa Carandas (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698764 - 8. Outgoing r'ship
FOUND_INto/from Cedrus Deodara (Plant) Rel Props:Reference:ISBN:9788171360536 - 9. Outgoing r'ship
FOUND_INto/from Cinnamomum Verum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643322 - 10. Outgoing r'ship
FOUND_INto/from Citrus Aurantiifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199803/04)13:2<93::aid-ffj702>3.0.co;2-z - 11. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700547 - 12. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2006.10643503 - 13. Outgoing r'ship
FOUND_INto/from Crambe Tatarica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Curcuma Aeruginosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9712004 - 15. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1053 - 16. Outgoing r'ship
FOUND_INto/from Curcuma Mangga (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9712004 - 17. Outgoing r'ship
FOUND_INto/from Curcuma Zanthorrhiza (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9712004 - 18. Outgoing r'ship
FOUND_INto/from Cymbopogon Martini (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1429327 - 19. Outgoing r'ship
FOUND_INto/from Diospyros Eriantha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Erigeron Canadensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712214 - 21. Outgoing r'ship
FOUND_INto/from Fritillaria Ningguoensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Galium Aparine (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698728 - 23. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 25. Outgoing r'ship
FOUND_INto/from Hoffmannia Strigillosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Lavandula Stoechas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1432419 - 29. Outgoing r'ship
FOUND_INto/from Lemaireocereus Griseus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Millettia Erythrocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700201 - 32. Outgoing r'ship
FOUND_INto/from Ononis Vaginalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.12067128 - 35. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Source_db:fooddb_chem_all - 36. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all - 37. Outgoing r'ship
FOUND_INto/from Pistacia Terebinthus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699121 - 38. Outgoing r'ship
FOUND_INto/from Pteris Semipinnata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 39. Outgoing r'ship
FOUND_INto/from Rapanea Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 40. Outgoing r'ship
FOUND_INto/from Salvia Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 41. Outgoing r'ship
FOUND_INto/from Santolina Chamaecyparissus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697907 - 42. Outgoing r'ship
FOUND_INto/from Scorzonera Pseudodivaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 43. Outgoing r'ship
FOUND_INto/from Syncarpia Hillii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 44. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643322 - 45. Outgoing r'ship
FOUND_INto/from Tagetes Erecta (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698958 - 46. Outgoing r'ship
FOUND_INto/from Thymus Kotschyanus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1397 - 47. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699245 - 48. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698692