3',4',5'-Trimethoxyacetophenone

C₁₁H₁₄O₄CAS 1136-86-3210.23 g/mol

Open in Covalent MOL file

Ether Ketone

Properties

Molecular formula: C₁₁H₁₄O₄
Molar mass: 210.23 g/mol
Exact mass: 210.0892 Da
Melting point: 72 °C
Boiling point: 132–134 °C (at 1 Torr)
logP: 1.92Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1136-86-3

SMILES

COc1cc(C(C)=O)cc(OC)c1OC

InChIKey

VUGQIIQFXCXZJU-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3

Weigh it out

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

Names and synonyms

8 names

3′,4′,5′-Trimethoxyacetophenone
Ethanone, 1-(3,4,5-trimethoxyphenyl)-
Acetophenone, 3′,4′,5′-trimethoxy-
1-(3,4,5-Trimethoxyphenyl)ethanone
3,4,5-Trimethoxyphenyl methyl ketone
1-(3,4,5-Trimethoxyphenyl)-1-ethanone
Methyl 3,4,5-trimethoxyphenyl ketone
NSC 30099

Work with 3',4',5'-Trimethoxyacetophenone

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

Acetosyringone2478-38-868 % similar 3,4-Dimethoxyacetophenone1131-62-065 % similar 1-(3,5-Dimethoxyphenyl)ethan-1-one39151-19-460 % similar Eudesmic acid118-41-259 % similar Methyl 3,4,5-trimethoxybenzoate1916-07-059 % similar 3,4,5-Trimethoxybenzoyl chloride4521-61-359 % similar Apocynin498-02-257 % similar 1-(4-Fluoro-3-methoxyphenyl)ethanone64287-19-057 % similar

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

Same formula

3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-4 3-(2,5-Dimethoxyphenyl)propionic acid10538-49-5 4-Ethoxy-3-methoxybenzeneacetic acid120-13-8 2',3',4'-Trimethoxyacetophenone13909-73-4 3-(3,4-Dimethoxyphenyl)propionic acid2107-70-2 2,3,4-Trimethoxy-6-methylbenzaldehyde22383-85-3 3,4-Diethoxybenzoic acid5409-31-4 2,4-Dihydroxy-6-propyl-benzoic acid methyl ester55382-52-0

Elsewhere

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