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.

2-Acetylfuran

PubChem CID: 14505

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

ℹ️ Click here to know more about the properties
Compound Synonyms 2-Acetylfuran, 1192-62-7, 1-(furan-2-yl)ethanone, 2-Furyl methyl ketone, Acetylfuran, 2-Acetyl furan, Ethanone, 1-(2-furanyl)-, Methyl 2-furyl ketone, 2-Furylethanone, 1-(2-Furyl)ethanone, Ketone, 2-furyl methyl, 1-Furan-2-yl-ethanone, 1-(2-FURANYL)ETHANONE, Furyl methyl ketone, Furan, 2-acetyl-, 1-(Furan-2-yl)ethan-1-one, 2-acetylfurane, (2-furanyl)-1-ethanone, FEMA No. 3163, 1-(2-Furanyl)-ethanone, CCRIS 3161, 2-Furyl methyl ketone (natural), 2-acetyl-furan, NSC 4665, EINECS 214-757-1, UNII-Q5ZRP80K02, NSC 49133, BRN 0107909, Q5ZRP80K02, CHEBI:59983, AI3-23586, NSC-4665, MFCD00003242, NSC-49133, 2-ACETYLFURAN [FHFI], DTXSID0051601, 5-17-09-00381 (Beilstein Handbook Reference), 2-FURYL METHYL KETONE [FCC], 80145-44-4, acetyl furan, 2-Acetylfuran, 1-(2-Furyl)ethanone, Ethanone, 1-(furanyl)-, 2-Acetofurone, a-Furyl methyl ketone, methyl-2-furyl ketone, 2-Acetylfuran (Standard), 1-(2-Furyl)ethanone #, Epitope ID:136039, 1-(furan-2-yl)-ethanone, SCHEMBL43960, 2-Furyl methyl ketone, 99%, 1-(2-Furanyl)ethanone, 9CI, DTXCID1030153, FEMA 3163, NSC4665, HY-W015912R, NSC49133, STR05504, STK400329, 1-(2-furanyl)ethanone (acetylfuran), AKOS000119584, 2-Furyl methyl ketone, >=99%, FG, CS-W016628, FA02198, HY-W015912, PS-4586, SB60920, 2-Acetyl furan, 2-Furyl methyl ketone, 1-(2-Furanyl)-ethanone (2-acetylfuran), AC-11853, PD158331, 2-Furyl methyl ketone, analytical standard, DB-003253, A0091, NS00012490, EN300-20230, 2-Furyl methyl ketone, purum, >=99.0% (GC), 2-Furyl methyl ketone, natural (US), >=97%, FG, Q15634156, F0001-0316, 2-Aminomethyl-azetidine-1-carboxylic acid tert-butylester, 214-757-1
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 30.2
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCC1
Np Classifier Class Furans
Deep Smiles CC=O)cccco5
Heavy Atom Count 8.0
Classyfire Class Organooxygen compounds
Description Present in cooked apple, morello cherry, wine grapes, peach, strawberry, plum, rabbiteye blueberry, asparagus, kohlrabi, baked potato, pineapple, bread products, rice, yoghurt, wines, soybean, black tea and calamus (European origin). Contributes to aroma of many foods and beverages. It is used in flavour compositions. 2-Acetylfuran is found in many foods, some of which are orange bell pepper, brassicas, pepper (c. annuum), and fruits.
Scaffold Graph Node Level C1CCOC1
Classyfire Subclass Carbonyl compounds
Isotope Atom Count 0.0
Molecular Complexity 98.7
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-(furan-2-yl)ethanone
Prediction Hob 1.0
Class Carbonyl compounds
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Xlogp 0.5
Superclass Organooxygen compounds
Subclass Ketones
Gsk 4 400 Rule True
Molecular Formula C6H6O2
Scaffold Graph Node Bond Level c1ccoc1
Prediction Swissadme 0.0
Inchi Key IEMMBWWQXVXBEU-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.1666666666666666
Logs -0.973
Rotatable Bond Count 1.0
State Solid
Logd 1.143
Synonyms (2-furanyl)-1-ethanone, 1-(2-Furanyl)-ethanone, 1-(2-Furanyl)-ethanone (2-acetylfuran), 1-(2-Furanyl)ethanone, 1-(2-furanyl)ethanone (acetylfuran), 1-(2-Furanyl)ethanone, 9CI, 1-(2-Furyl)ethanone, 1-(furan-2-yl)ethanone, 2-Acetofurone, 2-Acetyl-furan, 2-Acetylfurane, 2-Furyl methyl ketone, 2-Furylethanone, a-Furyl methyl ketone, Acetylfuran, Ethanone, 1-(2-furanyl)-, FEMA 3163, Furan, 2-acetyl-, Furyl methyl ketone, Ketone, 2-furyl methyl, Methyl 2-furyl ketone, (2-Furanyl)-1-ethanone, 1-(2-Furanyl)ethanone (acetylfuran), 1-(2-Furanyl)ethanone, 9ci, 1-(Furan-2-yl)ethanone, 2-acet ylfuran, 2-acetyl-furan, 2-acetylf uran, 2-acetylfuran, 2-furyl methyl ketone, furan, 2-acetyl, furan,2-acetyl
Substituent Name Aryl alkyl ketone, Heteroaromatic compound, Furan, Oxacycle, Organoheterocyclic compound, Hydrocarbon derivative, Aromatic heteromonocyclic compound
Esol Class Very soluble
Functional Groups cC(C)=O, coc
Compound Name 2-Acetylfuran
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 110.037
Formal Charge 0.0
Monoisotopic Mass 110.037
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 110.11
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteromonocyclic compounds
Lipinski Rule Of 5 True
Esol -1.2467943999999997
Inchi InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
Smiles CC(=O)C1=CC=CO1
Nring 1.0
Np Classifier Biosynthetic Pathway Polyketides
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Aryl alkyl ketones
Np Classifier Superclass Cyclic polyketides

  • 1. Outgoing r'ship FOUND_IN to/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Annona Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730080103
  • 4. Outgoing r'ship FOUND_IN to/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Arnebia Guttata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Averrhoa Bilimbi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9700533
  • 7. Outgoing r'ship FOUND_IN to/from Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Campsis Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Cestrum Nocturnum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698455
  • 12. Outgoing r'ship FOUND_IN to/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Galium Aparine (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698728
  • 14. Outgoing r'ship FOUND_IN to/from Garcinia Dulcis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1187
  • 15. Outgoing r'ship FOUND_IN to/from Gardenia Jasminoides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700609
  • 16. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9780896038776
  • 17. Outgoing r'ship FOUND_IN to/from Handroanthus Impetiginosus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1345
  • 18. Outgoing r'ship FOUND_IN to/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108
  • 19. Outgoing r'ship FOUND_IN to/from Isatis Tinctoria (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699155
  • 20. Outgoing r'ship FOUND_IN to/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Muntingia Calabura (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700655
  • 24. Outgoing r'ship FOUND_IN to/from Murraya Koenigii (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 25. Outgoing r'ship FOUND_IN to/from Paederia Foetida (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090106
  • 26. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Polygala Senega (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100408
  • 28. Outgoing r'ship FOUND_IN to/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Psidium Guajava (Plant) Rel Props:Source_db:fooddb_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Sesamum Indicum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Syzygium Malaccense (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1269
  • 32. Outgoing r'ship FOUND_IN to/from Tamarindus Indica (Plant) Rel Props:Source_db:fooddb_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699245
  • 36. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 37. Outgoing r'ship FOUND_IN to/from Ziziphus Jujuba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700625
Back to Browse   Back to Home