1-[4-(2-Phenylethynyl)phenyl]ethanone

C₁₆H₁₂OCAS 1942-31-0220.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₂O
Molar mass: 220.27 g/mol
Exact mass: 220.0888 Da
Melting point: 98–99 °C
logP: 3.29Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

1942-31-0

SMILES

CC(=O)c1ccc(C#Cc2ccccc2)cc1

InChIKey

QCYZMMVPXNWSJK-UHFFFAOYSA-N

InChI

InChI=1S/C16H12O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,1H3

Weigh it out

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

Names and synonyms

15 names · show all

Ethanone, 1-[4-(2-phenylethynyl)phenyl]-
Acetophenone, 4′-(phenylethynyl)-
Ethanone, 1-[4-(phenylethynyl)phenyl]-
4-(2-Phenylethynyl)acetophenone
1-[4-(Phenylethynyl)phenyl]ethanone
4-Acetyltolane
1-Acetyl-4-(phenylethynyl)benzene
4′-(Phenylethynyl)acetophenone
4-(Phenylethynyl)acetophenone
4-Acetylphenyl(phenyl)acetylene
1-(4-Acetylphenyl)-2-phenylethyne
p-Acetyldiphenylacetylene
1-(4-Acetylphenyl)-2-phenylacetylene
1-[4-(Phenylethynyl)phenyl]ethan-1-one
1-[4-(2-Phenyleth-1-ynyl)phenyl]ethan-1-one

Work with 1-[4-(2-Phenylethynyl)phenyl]ethanone

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

Acetophenone98-86-265 % similar 4-Acetylbenzonitrile1443-80-763 % similar 4-Acetylbiphenyl92-91-162 % similar 1,4-Diacetylbenzene1009-61-660 % similar 1-[4-(Phenylthio)phenyl]ethanone10169-55-856 % similar 1-(4-Phenoxyphenyl)ethanone5031-78-756 % similar 1,4-Bis(2-phenylethynyl)benzene1849-27-052 % similar 3-Acetylbenzonitrile6136-68-151 % similar

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

Same formula

9-Acetylanthracene784-04-3 2,5-Diphenylfuran955-83-9

Elsewhere

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