3-(4-Methoxyphenyl)propionyl chloride

C₁₀H₁₁ClO₂CAS 15893-42-2198.65 g/mol

Open in Covalent MOL file

Acyl halide Ether

Properties

Molecular formula: C₁₀H₁₁ClO₂
Molar mass: 198.65 g/mol
Exact mass: 198.0448 Da
logP: 2.39Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

15893-42-2

SMILES

COC1=CC=C(C=C1)CCC(=O)Cl

InChIKey

FQVJPHCAWYRYCK-UHFFFAOYSA-N

InChI

InChI=1S/C10H11ClO2/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3

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

Work with 3-(4-Methoxyphenyl)propionyl chloride

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

4-Methoxybenzeneacetyl chloride4693-91-872 % similar 4-(4-Methoxyphenyl)-2-butanone104-20-162 % similar Benzenepropanoyl chloride645-45-456 % similar 4-Methoxybenzenebutanoic acid4521-28-253 % similar 1-(2-Chloroethyl)-4-methoxybenzene18217-00-052 % similar 4-Methoxyphenylacetone122-84-950 % similar (4-Methoxyphenyl)acetic acid104-01-849 % similar 1,2-Bis(4-methoxyphenyl)ethanone120-44-549 % similar

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

Same formula

Ethyl 4-chloromethylbenzoate1201-90-7 p-Chlorophenylacetic acid ethyl ester14062-24-9 Ethyl α-chlorobenzeneacetate4773-33-5 Ethyl m-(chloromethyl)benzoate54589-54-7 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-6

Elsewhere

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