trans-4-Phenyl-3-buten-2-one

C10H10OCAS 1896-62-4146.19 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C10H10O
Molar mass
146.19 g/mol
Exact mass
146.0732 Da
Melting point
42 °C
Boiling point
262 °C
logP
2.29Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,901 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P501

Identifiers

CAS number
1896-62-4
SMILES
CC(=O)/C=C/c1ccccc1
InChIKey
BWHOZHOGCMHOBV-BQYQJAHWSA-N
InChI
InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+

Weigh it out

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

Names and synonyms

16 names · show all
  • 3-Buten-2-one, 4-phenyl-, (3E)-
  • 3-Buten-2-one, 4-phenyl-, (E)-
  • (3E)-4-Phenyl-3-buten-2-one
  • Methyl trans-styryl ketone
  • trans-Benzylideneacetone
  • trans-1-Phenylbut-1-en-3-one
  • trans-Benzalacetone
  • trans-Phenylvinyl methyl ketone
  • (E)-Benzylideneacetone
  • (E)-Methyl styryl ketone
  • (E)-Benzalacetone
  • (E)-4-Phenyl-3-buten-2-one
  • Methyl (E)-2-phenylethenyl ketone
  • trans-4-Phenyl-3-butene-2-one
  • trans-4-Phenylbuten-2-one
  • Benzylideneacetone

Work with trans-4-Phenyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Phenyl-3-buten-2-one122-57-6Stereo not defined

Similar compounds

(4-Hydroxybenzylidene)acetone3160-35-863 % similar 4-(4-Chlorophenyl)-3-buten-2-one3160-40-563 % similar (1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one35225-79-759 % similar Dibenzylideneacetone538-58-959 % similar 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one80992-92-356 % similar trans-Chalcone614-47-155 % similar Chalcone94-41-755 % similar Cinnamoyl chloride102-92-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Methylcinnamaldehyde101-39-3 2-Phenyl-3-butyn-2-ol127-66-2 4-Ethenyl-2,3-dihydrobenzofuran230642-84-9 6-Methyl-1-indanone24623-20-9 4-Methyl-1-indanone24644-78-8 5,8-Dihydro-1-naphthol27673-48-9 2-Ethylbenzofuran3131-63-3

Elsewhere

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