3′-Methoxypropiophenone

C₁₀H₁₂O₂CAS 37951-49-8164.20 g/mol

Open in Covalent MOL file

Ether Ketone

Properties

Molecular formula: C₁₀H₁₂O₂
Molar mass: 164.20 g/mol
Exact mass: 164.0837 Da
Boiling point: 259 °C
logP: 2.29Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed21.4% of notifiers
H315 Causes skin irritation14.3% of notifiers
H319 Causes serious eye irritation14.3% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 14 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

37951-49-8

SMILES

CCC(=O)c1cccc(OC)c1

InChIKey

LPDJHUUWTGXTCU-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O2/c1-3-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3

Weigh it out

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

Names and synonyms

5 names

3'-Methoxypropiophenone
1-Propanone, 1-(3-methoxyphenyl)-
1-(3-Methoxyphenyl)-1-propanone
m-Methoxypropiophenone
3-Methoxyphenyl ethyl ketone

Work with 3′-Methoxypropiophenone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromo-3′-methoxyacetophenone5000-65-769 % similar 3-(3-Methoxyphenyl)-3-oxopropanenitrile21667-60-764 % similar 3-(3-Methoxy-phenyl)-3-oxo-propionic acid ethyl ester27834-99-763 % similar Propioveratrone1835-04-759 % similar 1-(3-Aminophenyl)-1-propanone1197-05-358 % similar 1-(3-Bromophenyl)-1-propanone19829-31-358 % similar 3′-Chloropropiophenone34841-35-558 % similar 3-Methoxyacetophenone586-37-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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