2',4'-Dihydroxy-3'-propylacetophenone

C11H14O3CAS 40786-69-4194.23 g/mol

Open in Covalent MOL file
HOOHO
KetonePhenol

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
logP
2.25Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
40786-69-4
SMILES
CCCC1=C(C=CC(=C1O)C(=O)C)O
InChIKey
QGGRBWUQXAFYEC-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-3-4-9-10(13)6-5-8(7(2)12)11(9)14/h5-6,13-14H,3-4H2,1-2H3

Weigh it out

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

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

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

Gallacetophenone528-21-261 % similar 2',4'-Dihydroxy-3'-methylacetophenone10139-84-156 % similar 2',3'-Dihydroxyacetophenone28631-86-951 % similar 2-Acetyl-4-butyramidophenol40188-45-245 % similar 2,3-Dihydroxy-4-methoxyacetophenone708-53-244 % similar 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-144 % similar 2,5-Dihydroxyacetophenone490-78-844 % similar 2′,4′-Dihydroxyacetophenone89-84-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Zingerone122-48-5 Ethyl 4-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Methyl 3-(4-methoxyphenyl)propanoate15823-04-8 4-Isopropylphenoxyacetic acid1643-16-9 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4

Elsewhere

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