4-Hydroxyphenylacetone

C9H10O2CAS 770-39-8150.18 g/mol

Open in Covalent MOL file
OOH
KetonePhenol

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
Density
1.1159 g/mL (at 20 °C)
Melting point
35.5 °C
Boiling point
130–150 °C (at 0.5 Torr)
logP
1.52Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
770-39-8
SMILES
CC(=O)Cc1ccc(O)cc1
InChIKey
VWMVAQHMFFZQGD-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,11H,6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • 2-Propanone, 1-(4-hydroxyphenyl)-
  • 2-Propanone, 1-(p-hydroxyphenyl)-
  • 2-Propanone, (p-hydroxyphenyl)-
  • 1-(4-Hydroxyphenyl)-2-propanone
  • p-Hydroxyphenylacetone
  • p-Hydroxyphenyl-2-propanone
  • 4-Hydroxyphenyl-2-propanone
  • 1-(p-Hydroxyphenyl)-2-propanone
  • 4-Hydroxybenzyl methyl ketone
  • 1-(4-Hydroxyphenyl)acetone
  • 4-Acetonylphenol

Work with 4-Hydroxyphenylacetone

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Raspberry ketone5471-51-271 % similar 1-(4-Methylphenyl)propan-2-one2096-86-864 % similar 1-(4-Bromophenyl)propan-2-one6186-22-764 % similar 4-Ethylphenylacetone75251-24-064 % similar Phenylacetone103-79-763 % similar (4-Fluorophenyl)acetone459-03-062 % similar 1-(p-Chlorophenyl)acetone5586-88-962 % similar 1-(3,4-Dihydroxyphenyl)-2-propanone2503-44-861 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

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