4-(4-Chlorophenyl)-3-buten-2-one

C₁₀H₉ClOCAS 3160-40-5180.63 g/mol

Open in Covalent MOL file

Alkene Aryl halide Ketone

Properties

Molecular formula: C₁₀H₉ClO
Molar mass: 180.63 g/mol
Exact mass: 180.0342 Da
Melting point: 50–50.5 °C
logP: 2.94Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

3160-40-5

SMILES

CC(=O)C=Cc1ccc(Cl)cc1

InChIKey

UUKRKWJGNHNTRG-UHFFFAOYSA-N

InChI

InChI=1S/C10H9ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3

Weigh it out

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

Names and synonyms

10 names

3-Buten-2-one, 4-(4-chlorophenyl)-
3-Buten-2-one, 4-(p-chlorophenyl)-
(p-Chlorobenzylidene)acetone
(4-Chlorobenzylidene)acetone
4-(p-Chlorophenyl)-3-buten-2-one
4-Chlorobenzalacetone
p-Chlorobenzalacetone
4′-Chlorobenzylideneacetone
NSC 87353
1-(p-Chlorophenyl)-1-buten-3-one

Work with 4-(4-Chlorophenyl)-3-buten-2-one

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-Phenyl-3-buten-2-one122-57-663 % similar trans-4-Phenyl-3-buten-2-one1896-62-463 % similar (4-Hydroxybenzylidene)acetone3160-35-863 % similar 4-Chlorocinnamic acid1615-02-758 % similar Methyl 3-(4-chlorophenyl)-2-propenoate7560-44-357 % similar 4-Chlorochalcone956-04-754 % similar Heliotropyl acetone3160-37-049 % similar Dehydrozingerone1080-12-245 % similar

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

Same formula

6-Chloro-1-tetralone26673-31-4 7-Chloro-3,4-dihydro-1(2H)-naphthalenone26673-32-5 (4-Chlorophenyl)cyclopropylmethanone6640-25-1

Elsewhere

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