2-Hydroxy-5-methylacetophenone
PubChem CID: 15068
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| Compound Synonyms | 1450-72-2, 2'-Hydroxy-5'-methylacetophenone, 1-(2-Hydroxy-5-methylphenyl)ethanone, 2-Hydroxy-5-methylacetophenone, Ethanone, 1-(2-hydroxy-5-methylphenyl)-, o-Acetyl-p-cresol, 2-ACETYL-4-METHYLPHENOL, 1-(2-Hydroxy-5-Methylphenyl)Ethan-1-One, 1-Hydroxy-2-acetyl-4-methylbenzene, MFCD00002380, Acetophenone, 2'-hydroxy-5'-methyl-, 1-(2-Hydroxy-5-methyl-phenyl)-ethanone, 11661U1ZEN, EINECS 215-915-2, NSC-26458, NSC-63363, DTXSID9061702, FEMA NO. 4594, NSC 26458, NSC 63363, 5'-METHYL-2'-HYDROXYACETOPHENONE, UNII-11661U1ZEN, NSC63363, 2-Acetyl-p-cresol, NCIOpen2_000252, SCHEMBL471440, CHEMBL4444601, DTXCID0034720, Methyl 6-hydroxy-m-tolyl ketone, CHEBI:179659, 2'-hydroxy-5'-methyl-acetophenone, ALBB-019497, NSC26458, STK727255, Acetophenone, 2'-hydroxy-5'-methyl-, AKOS000266093, FH33098, HY-W100681, SDCCGMLS-0065880.P001, 1-(2-Hydroxy-5-methylphenyl)-Ethanone, 2'-Hydroxy-5'-methylacetophenone, 98%, 1-(2-Hydroxy-5-methylphenyl)ethanone #, BP-12459, PD171706, SY048474, DB-011374, 1-(2-Hydroxy-5-methylphenyl)ethanone, 9CI, CS-0153323, H0790, NS00021663, EN300-18588, 5D-073, 1-(2-HYDROXY-5-METHYLPHENYL)-1-ETHANONE, Q27251292, Z85923114, 2 inverted exclamation mark -Hydroxy-5 inverted exclamation mark -methylacetophenone, 215-915-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | Ccccccc6)C=O)C)))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Flavouring for coffee. 2'-Hydroxy-5'-methylacetophenone is found in coffee and coffee products. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-hydroxy-5-methylphenyl)ethanone |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.3 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | YNPDFBFVMJNGKZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 1-(2-Hydroxy-5-methylphenyl)-ethanone, 1-(2-Hydroxy-5-methylphenyl)ethanone, 1-(2-Hydroxy-5-methylphenyl)ethanone, 9CI, 1-Hydroxy-2-acetyl-4-methylbenzene, 2-Acetyl-4-methylphenol, 2-Acetyl-p-cresol, 2-Hydroxy-5-methylacetophenone, 2'-Hydroxy-5'-methyl-acetophenone, Acetophenone, 2'-hydroxy-5'-methyl-, Ethanone, 1-(2-hydroxy-5-methylphenyl)-, Methyl 6-hydroxy-m-tolyl ketone, O-acetyl-p-cresol, 1-(2-Hydroxy-5-methylphenyl)ethanone, 9ci, 2-Acetyl-P-cresol, O-Acetyl-P-cresol, 1-hydroxy-2-acetyl-4-methylbenzene, 2-hydroxy-5-methyl-acetophenone, 2-hydroxy-5-methylacetophenone |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cO |
| Compound Name | 2-Hydroxy-5-methylacetophenone |
| Kingdom | Organic compounds |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| 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 |
| Inchi | InChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3 |
| Smiles | CC1=CC(=C(C=C1)O)C(=O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Alkyl-phenylketones |
- 1. Outgoing r'ship
FOUND_INto/from Ageratum Conyzoides (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1564381 - 3. Outgoing r'ship
FOUND_INto/from Crithmum Maritimum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090605 - 4. Outgoing r'ship
FOUND_INto/from Vanilla Planifolia (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279