3'-Hydroxyacetophenone
PubChem CID: 8487
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| Compound Synonyms | 3'-Hydroxyacetophenone, 121-71-1, 1-(3-Hydroxyphenyl)ethanone, 3-Hydroxyacetophenone, m-Hydroxyacetophenone, 3-ACETYLPHENOL, 1-(3-Hydroxyphenyl)ethan-1-one, Ethanone, 1-(3-hydroxyphenyl)-, m-Acetylphenol, Acetophenone, 3'-hydroxy-, MFCD00002298, UNII-UV3GO1D90J, NSC 2440, UV3GO1D90J, NSC-2440, 3-hydroxy acetophenone, EINECS 204-494-0, 3-HYDROXY-ACETOPHENONE, 3-Hydroxyphenyl Methyl Ketone, AI3-14650, 1-(3-Hydroxy-phenyl)-ethanone, DTXSID5059533, 1-(3-Hydroxyphenyl)ethanone (3-Hydroxyacetophenone), 3-Acetophenol, mAcetylphenol, 3acetylphenol, 3-ethanoylphenol, NSC2440, mHydroxyacetophenone, 53C, Etilefrine Hydrochloride Imp. E (EP), Etilefrine Imp. E (EP), 1-(3-Hydroxyphenyl)ethanone, 3-Hydroxyacetophenone, Etilefrine Hydrochloride Impurity E, Etilefrine Impurity E, 3-hydroxyphenylethanone, 3`-Hydroxyacetophenone, 3'-hydroxy-acetophenone, 3\'-Hydroxyacetophenone, Acetaminophen Impurity I, Acetophenone, 3'hydroxy, acetophenone, m-hydroxy-, acetophenone, 3-hydroxy-, 1(3Hydroxyphenyl)ethan1one, SCHEMBL42942, Ethanone, 1(3hydroxyphenyl), 1-(3-hydroxyphenyl) ethanone, 3'-Hydroxyacetophenone, 97%, CHEMBL404719, DTXCID0033679, Acetophenone, 3'hydroxy (8CI), 3'-Hydroxyacetophenone, >=99%, Acetophenone, 3'-hydroxy-(8CI), BCP24455, HY-Y0603, STR01113, BBL010535, STL146197, AKOS000120755, AC-3238, FH67676, PS-3431, BP-13222, SY004849, DB-030053, A0104, CS-0015375, NS00023974, EN300-20956, 3 inverted exclamation mark -Hydroxyacetophenone, AE-562/41047023, Q15410155, ETILEFRINE HYDROCHLORIDE IMPURITY E [EP IMPURITY], F0001-0349, Z104485446, 204-494-0 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 131.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-(3-hydroxyphenyl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C8H8O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LUJMEECXHPYQOF-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -0.865 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.176 |
| Compound Name | 3'-Hydroxyacetophenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 136.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9378299999999997 |
| Inchi | InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3 |
| Smiles | CC(=O)C1=CC(=CC=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vincetoxicum Pycnostelma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all