chempirical

2'-Hydroxyacetophenone

C8H8O2CAS 104809-67-8136.15 g/mol

Open in Covalent MOL file
OHO
KetonePhenol

Properties

Molecular formula
C8H8O2
Molar mass
136.15 g/mol
Exact mass
136.0524 Da
logP
1.59Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
104809-67-8
SMILES
CC(=O)C1=CC=CC=C1O
InChIKey
JECYUBVRTQDVAT-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3

Weigh it out

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

Work with 2'-Hydroxyacetophenone

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

1,2-Diacetylbenzene704-00-767 % similar 2′-Amino-3′-hydroxyacetophenone4502-10-765 % similar 2,2′-Dihydroxybenzophenone835-11-059 % similar 2′,4′-Dihydroxyacetophenone89-84-958 % similar 4,6-Diacetylresorcinol2161-85-557 % similar 2-Acetylbenzoic acid577-56-057 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-256 % similar 2′-Hydroxy-4′-methylacetophenone6921-64-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenylacetic acid103-82-2 Benzyl formate104-57-4 O-Toluic acid118-90-1 2′-Hydroxyacetophenone118-93-4 3-Hydroxyacetophenone121-71-1 Phenyl acetate122-79-2 4-Anisaldehyde123-11-5 2-Methoxybenzaldehyde135-02-4

Elsewhere

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