3-Acetyl-5-(4-chlorophenyl)-2-methylfuran

C₁₃H₁₁ClO₂CAS 43020-12-8234.68 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₃H₁₁ClO₂
Molar mass: 234.68 g/mol
Exact mass: 234.0448 Da
logP: 4.11Crippen estimate
Polar surface area: 30.2 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

43020-12-8

SMILES

CC1=C(C=C(O1)C2=CC=C(C=C2)Cl)C(=O)C

InChIKey

AOCVLRAZYZGWMS-UHFFFAOYSA-N

InChI

InChI=1S/C13H11ClO2/c1-8(15)12-7-13(16-9(12)2)10-3-5-11(14)6-4-10/h3-7H,1-2H3

Weigh it out

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Names and synonyms

1 names

1-[5-(4-Chlorophenyl)-2-methyl-3-furyl]ethan-1-one

Work with 3-Acetyl-5-(4-chlorophenyl)-2-methylfuran

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-Acetyl-2,5-dimethylfuran10599-70-951 % similar 2-Methyl-5-phenylfuran-3-carboxylic acid108124-17-047 % similar 2',4'-Dichloroacetophenone2234-16-446 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-146 % similar 5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl chloride175276-61-645 % similar P-Chloroacetophenone99-91-245 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-444 % similar 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-844 % similar

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

Same formula

2-Ethoxy-1-naphthalenecarbonyl chloride55150-29-3

Elsewhere

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