2',4'-Dihydroxy-3'-methylacetophenone

C9H10O3CAS 10139-84-1166.18 g/mol

Open in Covalent MOL file
HOOOH
KetonePhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
logP
1.61Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
10139-84-1
SMILES
CC1=C(C=CC(=C1O)C(=O)C)O
InChIKey
KMTLZBUHQPQFAV-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-5-8(11)4-3-7(6(2)10)9(5)12/h3-4,11-12H,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one

Work with 2',4'-Dihydroxy-3'-methylacetophenone

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

Gallacetophenone528-21-271 % similar 2',3'-Dihydroxyacetophenone28631-86-959 % similar 2',4'-Dihydroxy-3'-propylacetophenone40786-69-456 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-253 % similar 2′-Hydroxy-4′-methylacetophenone6921-64-853 % similar 2'-Hydroxyacetophenone104809-67-850 % similar 2′-Hydroxyacetophenone118-93-450 % similar 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2 Methyl (4-hydroxyphenyl)acetate14199-15-6

Elsewhere

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