3'-Iodo-4'-methoxyacetophenone

C₉H₉IO₂CAS 79324-77-9276.07 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₉H₉IO₂
Molar mass: 276.07 g/mol
Exact mass: 275.9647 Da
logP: 2.50Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

79324-77-9

SMILES

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

InChIKey

YDTWTLOLPFLZHX-UHFFFAOYSA-N

InChI

InChI=1S/C9H9IO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

1 names

1-(3-Iodo-4-methoxyphenyl)ethan-1-one

Work with 3'-Iodo-4'-methoxyacetophenone

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

3,4-Dimethoxyacetophenone1131-62-070 % similar Methyl 3-iodo-4-methoxybenzoate35387-93-065 % similar 3-Iodo-4-methoxybenzoic acid68507-19-765 % similar 1-(3-Bromo-4-methoxyphenyl)ethanone35310-75-962 % similar 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-462 % similar 1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-962 % similar Apocynin498-02-258 % similar 1-(4-Fluoro-3-methoxyphenyl)ethanone64287-19-058 % similar

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

Same formula

3-(4-Iodophenyl)propionic acid1643-29-4 Ethyl 2-iodobenzoate1829-28-3 Ethyl 4-iodobenzoate51934-41-9 Methyl 4-iodo-3-methylbenzoate5471-81-8 Ethyl 3-iodobenzoate58313-23-8 Methyl 3-iodo-4-methylbenzoate90347-66-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook