2'-Hydroxy-4',5'-dimethoxyacetophenone

C₁₀H₁₂O₄CAS 20628-06-2196.20 g/mol

Open in Covalent MOL file

Ether Ketone Phenol

Properties

Molecular formula: C₁₀H₁₂O₄
Molar mass: 196.20 g/mol
Exact mass: 196.0736 Da
logP: 1.61Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

20628-06-2

SMILES

CC(=O)C1=CC(=C(C=C1O)OC)OC

InChIKey

KEQHBVWVKYHDCS-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O4/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-5,12H,1-3H3

Weigh it out

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

Work with 2'-Hydroxy-4',5'-dimethoxyacetophenone

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-Hydroxy-4,5-dimethoxybenzoic acid5722-93-065 % similar 2'-Amino-4',5'-dimethoxyacetophenone4101-30-864 % similar 4,6-Diacetylresorcinol2161-85-563 % similar Apocynin498-02-261 % similar Paeonol552-41-061 % similar 1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-961 % similar 2′-Hydroxy-5′-methoxyacetophenone705-15-761 % similar 2′-Hydroxy-4′,5′-dimethylacetophenone36436-65-456 % similar

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

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1

Elsewhere

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