chempirical

3,5-Dihydroxy-4-acetyltoluene

C9H10O3CAS 1634-34-0166.18 g/mol

Open in Covalent MOL file
OHOOH
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

Identifiers

CAS number
1634-34-0
SMILES
CC1=CC(=C(C(=C1)O)C(=O)C)O
InChIKey
CUYUORWXJSURNV-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-5-3-7(11)9(6(2)10)8(12)4-5/h3-4,11-12H,1-2H3

Weigh it out

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Work with 3,5-Dihydroxy-4-acetyltoluene

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

2,4,6-Trihydroxyacetophenone480-66-068 % similar 2,4-Diacetylphloroglucinol2161-86-662 % similar 2',4',6'-Trihydroxyacetophenone monohydrate249278-28-261 % similar 2,6-Dihydroxy-4-methylbenzoic acid480-67-160 % similar 2′-Hydroxy-4′-methylacetophenone6921-64-859 % similar 2′,4′,6′-Trimethylacetophenone1667-01-259 % similar 2′,4′,6′-Trimethylacetophenone51885-97-359 % similar 2′,6′-Dihydroxyacetophenone699-83-259 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (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

Elsewhere

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