2',6'-Dihydroxyacetophenone
PubChem CID: 69687
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| Compound Synonyms | 2',6'-Dihydroxyacetophenone, 699-83-2, 1-(2,6-Dihydroxyphenyl)ethanone, 2,6-Dihydroxyacetophenone, 2-Acetylresorcinol, Resorcinol, 2-acetyl-, 1-(2,6-dihydroxyphenyl)ethan-1-one, Ethanone, 1-(2,6-dihydroxyphenyl)-, MFCD00002270, gamma-Resacetophenone, 1,3-Benzenediol, 2-acetyl-, .gamma.-Resacetophenone, Acetophenone, 2',6'-dihydroxy-, 2, 6-Dihydroxyacetophenone, 2,6-dihydroxy acetophenone, Acetyl-2,6-dihydroxybenzene, UNII-88BO51G3Y2, 2',6'-dihydroxy-acetophenone, 2-Acetyl-Resorcinol, 2-Acetyl-1,3-dihydroxybenzene, NSC 615, NSC-615, 88BO51G3Y2, 1-(2,6-dihydroxyphenyl)-ethanone, EINECS 211-833-6, ACETOPHENONE, 2,6-DIHYDROXY-, 2-Acetyl-1,3-Benzenediol, CHEMBL454739, YPTJKHVBDCRKNF-UHFFFAOYSA-, DTXSID00220185, EC 211-833-6, 1-(2,6-dihydroxy-phenyl)-ethanone, 1-[2,6-bis(oxidanyl)phenyl]ethanone, 1-(2,6-Dihydroxyphenyl)ethanone, 9CI, SODIUM CROMOGLICATE IMPURITY A [EP IMPURITY], 1-(2,6-Dihydroxyphenyl)ethanone (2',6'-Dihydroxyacetophenone), SODIUM CROMOGLICATE IMPURITY A (EP IMPURITY), Sodium Cromoglicate Imp. A (EP), 1-(2,6-Dihydroxyphenyl)ethanone, 2',6'-Dihydroxyacetophenone, Sodium Cromoglicate Impurity A, mono acetyl resorcinol, 26-Dihydroxyacetophenone, 26-Dihydroxy acetophenone, 2-ACETYL RESORCINOL, 2'6'-Dihydroxyacetophenone, Acetophenone,6'-dihydroxy-, 2`,6`-Dihydroxyacetophenone, Ethanone,6-dihydroxyphenyl)-, BIDD:ER0607, SCHEMBL105807, Laquo gammaraquo-resacetophenone, NSC615, (2',6'-dihydroxy)acetophenone, 2'',6''-dihydroxyacetophenone, 2\',6\'-Dihydroxyacetophenone, laquo gammaRaquo -resacetophenone, DTXCID00142676, CHEBI:173644, HY-Y0106, 2',6'-Dihydroxyacetophenone, 97%, BDBM50249071, CK2557, STL195537, AKOS000299253, CS-W019984, FD11049, FS-2546, NCGC00166008-01, AC-10724, Acetophenone, 2',6'-dihydroxy- (8CI), PD158440, SY001633, DB-020214, D1716, NS00001185, Ethanone, 1-(2,6-dihydroxyphenyl)- (9CI), EN300-114470, AB-131/40185723, doi:10.14272/YPTJKHVBDCRKNF-UHFFFAOYSA-N.1, Q27269919, Z1255485184, 2',6'-Dihydroxyacetophenone, matrix substance for MALDI-MS, >=99.5%, 2 inverted exclamation mark ,6 inverted exclamation mark -Dihydroxyacetophenone, 2',6'-Dihydroxyacetophenone, matrix substance for MALDI-MS, >=99.5% (HPLC), Ultra pure, 211-833-6, 9EQ |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Description | Potential component of FEMA 3662. Flavouring ingredient |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9HAS3, P10828, Q9F4F7, P51450, O42713 |
| Iupac Name | 1-(2,6-dihydroxyphenyl)ethanone |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT46 |
| Xlogp | 1.4 |
| Superclass | Benzenoids |
| Subclass | Acetophenones |
| Molecular Formula | C8H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YPTJKHVBDCRKNF-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -1.966 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 1.397 |
| Synonyms | «, gamma», -resacetophenone, 1-(2,6-Dihydroxyphenyl)-ethanone, 1-(2,6-Dihydroxyphenyl)ethanone, 1-(2,6-Dihydroxyphenyl)ethanone, 9CI, 1,3-Benzenediol, 2-acetyl-, 2-Acetyl-1,3-benzenediol, 2-Acetyl-1,3-dihydroxybenzene, 2-Acetyl-resorcinol, 2-Acetylresorcinol, 2, 6-Dihydroxyacetophenone, 2,6-Dihydroxyacetophenone, 2',6'-Dihydroxy-acetophenone, Acetophenone, 2',6'-dihydroxy-, Acetophenone, 2',6'-dihydroxy- (8CI), Acetyl-2,6-dihydroxybenzene, Ethanone, 1-(2,6-dihydroxyphenyl)-, Ethanone, 1-(2,6-dihydroxyphenyl)- (9CI), Gamma-resacetophenone, Laquo gammaraquo -resacetophenone, Resorcinol, 2-acetyl-, Dihydroxyacetophenone, 26-Dihydroxy acetophenone, 2'6'-Dihydroxyacetophenone, 26-Dihydroxyacetophenone, 1-(2,6-Dihydroxyphenyl)ethanone, 9ci, Acetophenone, 2',6'-dihydroxy- (8ci), Ethanone, 1-(2,6-dihydroxyphenyl)- (9ci), gamma-Resacetophenone, laquo gammaraquo -Resacetophenone |
| Substituent Name | Acetophenone, Aryl alkyl ketone, Aryl ketone, Resorcinol, Benzoyl, Phenol, Vinylogous acid, Ketone, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | 2',6'-Dihydroxyacetophenone |
| 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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -2.0344601636363633 |
| Inchi | InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3 |
| Smiles | CC(=O)C1=C(C=CC=C1O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alkyl-phenylketones |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all