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.

Resacetophenone

PubChem CID: 6990

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

Compound Synonyms 2',4'-DIHYDROXYACETOPHENONE, 89-84-9, 2,4-Dihydroxyacetophenone, 1-(2,4-Dihydroxyphenyl)ethanone, Resacetophenone, 4-Acetylresorcinol, Resoacetophenone, Ethanone, 1-(2,4-dihydroxyphenyl)-, 1-Acetyl-2,4-dihydroxybenzene, Resorcinol, 4-acetyl-, MFCD00002279, Acetophenone, 2',4'-dihydroxy-, NSC 10883, 1-(2,4-dihydroxyphenyl)ethan-1-one, UNII-UC3V356VZC, 1-(2,4-dihydroxy-phenyl)-ethanone, EINECS 201-945-3, UC3V356VZC, BRN 1282505, CHEBI:18414, .beta.-Resacetophenone, AI3-00866, NSC-10883, 4-Acetyl-1,3-benzenediol, 2,4-Dihydroxy Acetophenone, 2',4'-Dihydroxy-acetophenone, CHEMBL243374, 4-08-00-01792 (Beilstein Handbook Reference), WLN: QR CQ DV1, beta-Resacetophenone, 4-Acetyl-Resorcinol, 2,4-dihyroxyacetophenone, 2,4-dihydroxy actophenone, 2'4'-dihydroxyacetophenone, 2,4,-dihydroxyacetophenone, 1-Acetylbenzene-2,4-diol, RESACETOPHENONE [MI], SCHEMBL26357, BIDD:ER0659, acetophenone, 2,4-dihydroxy-, 1,3-Dihydroxy-4-acetylbenzene, 2'',4''-dihydroxyacetophenone, 2\',4\'-dihydroxyacetophenone, DTXSID4058998, 1-(2,4-Dihydroxyphenyl)-ethanone, HY-Y0694, NSC10883, NSC37559, STR03384, 2',4'-Dihydroxyacetophenone, 99%, BBL012128, BDBM50241221, NSC-37559, s4762, STK084318, AKOS000119522, AC-1105, CCG-259076, CS-W008599, FD22096, FS-3456, 1-(2,4-Dihydroxyphenyl)ethanone, 9CI, SY004020, D0561, NS00039344, EN300-18418, C03663, S12324, AK-087/40177797, Q27103063, Z57101026, F1995-0239, 1-(2,4-Dihydroxyphenyl)ethanone, 1-Acetylbenzene-2,4-diol, Resacetophenone, 2 inverted exclamation mark ,4 inverted exclamation mark -Dihydroxyacetophenone, InChI=1/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H, 201-945-3
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 57.5
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Deep Smiles Occcccc6)O))C=O)C
Heavy Atom Count 11.0
Classyfire Class Organooxygen compounds
Description Potential component of FEMA 3662. Flavouring ingredient
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Carbonyl compounds
Isotope Atom Count 0.0
Molecular Complexity 155.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P14916, Q9HAS3, n.a., O42275, P81908
Iupac Name 1-(2,4-dihydroxyphenyl)ethanone
Prediction Hob 1.0
Class Benzene and substituted derivatives
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Xlogp 1.7
Superclass Benzenoids
Subclass Acetophenones
Gsk 4 400 Rule True
Molecular Formula C8H8O3
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key SULYEHHGGXARJS-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.125
Logs -1.556
Rotatable Bond Count 1.0
State Solid
Logd 1.409
Synonyms 1-(2,4-Dihydroxyphenyl)-ethanone, 1-(2,4-Dihydroxyphenyl)ethanone, 9CI, 2,4-Dihydroxyacetophenone, 2',4'-Dihydroxy-acetophenone, 4-Acetyl-1,3-benzenediol, 4-Acetyl-resorcinol, 4-Acetylresorcinol, Acetophenone, 2',4'-dihydroxy-, Ethanone, 1-(2,4-dihydroxyphenyl)-, Resacetophenone, Resoacetophenone, Resorcinol, 4-acetyl-, 1-(2,4-Dihydroxyphenyl)ethanone, 9ci, 2,4-dihydroxy-acetophenone, 2,4-dihydroxyacetophenone, acetophenone,2,4-dihydroxy
Substituent Name Acetophenone, Aryl alkyl ketone, Aryl ketone, Resorcinol, Benzoyl, Phenol, Vinylogous acid, Ketone, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound
Esol Class Soluble
Functional Groups cC(C)=O, cO
Compound Name Resacetophenone
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 152.047
Formal Charge 0.0
Monoisotopic Mass 152.047
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 152.15
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 -2.160460163636363
Inchi InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
Smiles CC(=O)C1=C(C=C(C=C1)O)O
Nring 1.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Alkyl-phenylketones