chempirical

2'-Hydroxy-5'-isopropylacetophenone

C11H14O2CAS 1634-36-2178.23 g/mol

Open in Covalent MOL file
OHO
KetonePhenol

Properties

Molecular formula
C11H14O2
Molar mass
178.23 g/mol
Exact mass
178.0994 Da
logP
2.72Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
1634-36-2
SMILES
CC(C)C1=CC(=C(C=C1)O)C(=O)C
InChIKey
SGDUYSKZFFCUOU-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O2/c1-7(2)9-4-5-11(13)10(6-9)8(3)12/h4-7,13H,1-3H3

Weigh it out

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

Work with 2'-Hydroxy-5'-isopropylacetophenone

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-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-064 % similar 2,5-Dihydroxyacetophenone490-78-860 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-258 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-457 % similar 5′-Bromo-2′-hydroxyacetophenone1450-75-557 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-157 % similar 4,6-Diacetylresorcinol2161-85-555 % similar 2′-Hydroxy-5′-methoxyacetophenone705-15-754 % similar

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

Same formula

Benzyl isobutyrate103-28-6 Benzyl butyrate103-37-7 4-(4-Methoxyphenyl)-2-butanone104-20-1 1-Phenylethyl propionate120-45-6 Isobutyl benzoate120-50-3 2-Phenethyl propionate122-70-3 3-Phenylpropyl acetate122-72-5 Butyl benzoate136-60-7

Elsewhere

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