1-(7-Methoxy-2-benzofuranyl)ethanone

C₁₁H₁₀O₃CAS 43071-52-9190.20 g/mol

Open in Covalent MOL file

Ether Ketone

Properties

Molecular formula: C₁₁H₁₀O₃
Molar mass: 190.20 g/mol
Exact mass: 190.0630 Da
Melting point: 92 °C
Boiling point: 176–180 °C (at 15 Torr)
logP: 2.64Crippen estimate
Polar surface area: 39.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

43071-52-9

SMILES

COc1cccc2cc(C(C)=O)oc12

InChIKey

MUUMFANQVPWPFY-UHFFFAOYSA-N

InChI

InChI=1S/C11H10O3/c1-7(12)10-6-8-4-3-5-9(13-2)11(8)14-10/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

7 names

Ethanone, 1-(7-methoxy-2-benzofuranyl)-
2-Acetyl-7-methoxybenzofuran
7-Methoxy-2-benzofuranyl methyl ketone
2-Acetyl-7-methoxybenzo[b]furan
1-(7-Methoxybenzofuran-2-yl)ethanone
1-(7-Methoxy-1-benzofuran-2-yl)ethan-1-one
1-(7-Methoxy-1-benzofuran-2-yl)ethanone

Work with 1-(7-Methoxy-2-benzofuranyl)ethanone

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

7-Methoxy-1-benzofuran-2-carboxylic acid4790-79-868 % similar Ethyl 7-methoxy-1-benzofuran-2-carboxylate50551-58-162 % similar 1-(2,6-Dimethoxyphenyl)ethanone2040-04-253 % similar 2-Acetylbenzofuran1646-26-053 % similar 2'-Methoxyacetophenone579-74-851 % similar 7-Ethoxybenzofuran-2-carboxylic acid206559-61-747 % similar 1-(2-Hydroxy-6-methoxyphenyl)ethanone703-23-145 % similar 3,4-Dimethoxyacetophenone1131-62-043 % similar

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

Same formula

(2E)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid20972-36-5 7-Methoxy-4-methylcoumarin2555-28-4 7-Ethoxycoumarin31005-02-4 Heliotropyl acetone3160-37-0 2-Benzofurancarboxylic acid ethyl ester3199-61-9 4-Ethoxycoumarin35817-27-7 6-Methoxy-4-methylcoumarin6295-35-8 Methyl 3-(4-formylphenyl)-2-propenoate7560-50-1

Elsewhere

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