chempirical

2-Phenyl-2-butenal

C10H10OCAS 4411-89-6146.19 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C10H10O
Molar mass
146.19 g/mol
Exact mass
146.0732 Da
Density
1.045 g/mL (at 18 °C)
Boiling point
117 °C (at 15 Torr)
logP
2.29Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
4411-89-6
SMILES
CC=C(C=O)c1ccccc1
InChIKey
DYAOGZLLMZQVHY-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzeneacetaldehyde, α-ethylidene-
  • Crotonaldehyde, 2-phenyl-
  • Crotonaldehyde, α-phenyl-
  • α-Ethylidenebenzeneacetaldehyde
  • α-Phenylcrotonaldehyde
  • 2-Phenylcrotonaldehyde

Work with 2-Phenyl-2-butenal

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-Methyl-2-phenyl-2-pentenal26643-91-458 % similar 5-Methyl-2-phenyl-2-hexenal21834-92-453 % similar Phenylglyoxal1074-12-048 % similar 1-Phenyl-2-buten-1-one495-41-041 % similar 1,2-Dibenzoylbenzene1159-86-037 % similar 1,4-Diphenyl-2-butene-1,4-dione4070-75-137 % similar trans-1,2-Dibenzoylethylene959-28-437 % similar Acetophenone98-86-237 % similar

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

Same formula

α-Methylcinnamaldehyde101-39-3 4-Phenyl-3-buten-2-one122-57-6 2-Phenyl-3-butyn-2-ol127-66-2 trans-4-Phenyl-3-buten-2-one1896-62-4 4-Ethenyl-2,3-dihydrobenzofuran230642-84-9 5,8-Dihydro-1-naphthol27673-48-9 2-Ethylbenzofuran3131-63-3 Benzoylcyclopropane3481-02-5

Elsewhere

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