Piceol
Properties
- Molecular formula
- C8H8O2
- Molar mass
- 136.15 g/mol
- Exact mass
- 136.0524 Da
- Melting point
- 109.5 °C
- Boiling point
- 147–148 °C
- logP
- 1.59Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
99-93-4SMILES
CC(=O)c1ccc(O)cc1InChIKey
TXFPEBPIARQUIG-UHFFFAOYSA-NInChI
InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
17 names · show all
- Ethanone, 1-(4-hydroxyphenyl)-
- Acetophenone, 4′-hydroxy-
- Acetophenone, p-hydroxy-
- 1-(4-Hydroxyphenyl)ethanone
- 4-Acetylphenol
- Methyl p-hydroxyphenyl ketone
- p-Hydroxyacetophenone
- p-Hydroxyphenyl methyl ketone
- p-Acetylphenol
- 4′-Hydroxyacetophenone
- 4-Hydroxyphenyl methyl ketone
- p-Acetophenol
- 1-(4-Hydroxyphenyl)-1-ethanone
- Methyl 4-hydroxyphenyl ketone
- 4-Acetophenol
- 4-Hydroxyphenylethanone
- NSC 3698
Work with Piceol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,4-Diacetylbenzene1009-61-671 % similar
3,5-Dihydroxyacetophenone51863-60-662 % similar
4-Acetylbenzoic acid586-89-059 % similar
P-Methylacetophenone122-00-958 % similar
4,4'-Dihydroxybenzophenone611-99-456 % similar
Acetophenone98-86-256 % similar
4-Iodoacetophenone13329-40-356 % similar
1,1′-(Oxydi-4,1-phenylene)bis[ethanone]2615-11-456 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds