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

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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

Weigh it out

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 Methyl 3-(4-methoxyphenyl)propanoate15823-04-860 % similar 3-(4-Methoxyphenyl)propionic acid1929-29-960 % similar Benzenepropanoyl chloride645-45-456 % similar 4-Methoxybenzenebutanoic acid4521-28-253 % similar 4-(2-Chloroethyl)phenyl methyl ether18217-00-052 % similar 4-Methoxyphenylacetone122-84-950 % 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 3-Chloro-1-(4-methoxyphenyl)propan-1-one35999-20-3 Ethyl α-chlorobenzeneacetate4773-33-5 Ethyl m-(chloromethyl)benzoate54589-54-7 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one62581-82-2 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-6

Elsewhere

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