Compound: 4'-Hydroxyacetophenone
SMILES: O=C(c1ccc(O)cc1)C
InChIKey: TXFPEBPIARQUIG-UHFFFAOYSA-N
Synonyms: 4'-Hydroxyacetophenone, 99-93-4, 4-Hydroxyacetophenone, 1-(4-Hydroxyphenyl)ethanone, P-HYDROXYACETOPHENONE, 4-Acetylphenol, p-Hydroxyphenyl methyl ketone, Ethanone, 1-(4-hydroxyphenyl)-, Methyl p-hydroxyphenyl ketone, para-Hydroxyacetophenone, (4-Hydroxyphenyl)ethan-1-one, HYDROXYACETOPHENONE, PARA, DTXSID0029133, G1L3HT4CMH, NSC-3698, DTXCID209133, FEMA NO. 4330, CHEBI:28032, RefChem:523982, CHEBI:24668, 202-802-8, Hydroxyacetophenone, Piceol, p-Acetylphenol, p-Oxyacetophenone, 1-(4-Hydroxyphenyl)Ethan-1-One, 4-hydroxy acetophenone, Acetophenone, 4'-hydroxy-, Phenol, p-acetyl-, Acetophenone, p-hydroxy-, 4-Acetophenol, USAF KF-15, Paracetamol EP Impurity E, MFCD00002359, 4-Hydroksyacetofenol, 4'-hydroxy acetophenone, 1-(4-Hydroxy-phenyl)-ethanone, NSC 3698, Paracetamol Impurity E, 4-Hydroxyphenyl Methyl Ketone, CHEMBL201083, c0694, 1-acetyl-4-hydroxybenzene, AC6, 1-(4-Hydroxyphenyl)ethanone (4-Hydroxyacetophenone), CAS-99-93-4, Methyl-p-hydroxyphenyl ketone, 4-Hydroksyacetofenol [Polish], EINECS 202-802-8, UNII-G1L3HT4CMH, AI3-12133, Paracetamol Imp. E (EP),1-(4-Hydroxyphenyl)ethanone, 4-Hydroxyacetophenone, 1-(4-Hydroxyphenyl)ethanone; Paracetamol Imp. E (EP); 4-Hydroxyacetophenone; Paracetamol Impurity E, p-Hydroxacetophenone, parahydroxyacetophenone, 4'-hyroxyacetophenone, p-hydroxy acetophenone, p-hydroxy-acetophenone, rho-hydroxyacetophenone, 4?-Hydroxyacetophenone, 4''-hydroxyacetophenone, Acetaminophen Impurity E, 4\'-Hydroxypropiophenone, (4-hydroxyphenyl)ethanone, acetophenone, 4-hydroxy-, bmse000593, bmse000670, bmse010030, EC 202-802-8, WLN: QR DV1, 4-HAP, SCHEMBL40866, SCHEMBL80529, BIDD:ER0242, SCHEMBL517762, 1-(4-hydroxyphenyl) ethanone, 1-(4-hydroxyphenyl)-ethanone, 4'-Hydroxyacetophenone, 99%, 278564_ALDRICH, orb1303804, orb3025995, SCHEMBL2889295, HY-Y0073R, 1-(4-hydroxyphenyl)-1-ethanone, 4-Hydroxyacetophenone (Standard), NSC3698, 2o48, CS-D1120, HY-Y0073, STR01114, Tox21_200228, Tox21_303602, 4-HYDROXYACETOPHENONE [FHFI], BDBM50177409, EBC-03962, LT0047, SBB040251, STK397448, ZINC00330136, AKOS000118915, AC-6123, FH24301, NCGC00248570-01, NCGC00248570-02, NCGC00257375-01, NCGC00257782-01, 261172-42-3, DA-49721, SY009665, 4'-Hydroxyacetophenone, analytical standard, DB-269493, H0193, NS00003966, PARACETAMOL IMPURITY E [EP IMPURITY], ST50213412, EN300-17800, 4 inverted exclamation mark -Hydroxyacetophenone, AB00443569-03, 4 inverted exclamation mark(R)-Hydroxyacetophenone, AB-131/40179700, F053479, Q7190613, Z57040434, F0001-2341, 2,5-CYCLOHEXADIEN-1-ONE, 4-(1-HYDROXYETHYLIDENE)-, InChI=1/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H, 4'-Hydroxyacetophenone (Acetaminophen Impurity E), Pharmaceutical Secondary Standards; Certified Reference Material
Theoretical properties:
molecular_formula: C8H8O2
molecular_weight: 136.15 g/mol
exact_mass: 136.052429494 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 10
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: Practically insoluble or insoluble in water
vapor_pressure: 0.00748 [mmHg]
Descriptions:
pubchem: 4'-hydroxyacetophenone is a monohydroxyacetophenone carrying a hydroxy substituent at position 4'. It has a role as a mouse metabolite, a plant metabolite and a fungal metabolite.
chebi: A monohydroxyacetophenone carrying a hydroxy substituent at position 4'.
chembl: 4-HYDROXYACETOPHENONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Piceol is a phenolic compound found in the needles and in mycorrhizal roots of Norway spruces (Picea abies). Picein is the glucoside of piceol.