chempirical

Alnustone

C19H18OCAS 33457-62-4262.35 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C19H18O
Molar mass
262.35 g/mol
Exact mass
262.1358 Da
Melting point
60–62 °C
logP
4.46Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6
Double bonds
E, EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
33457-62-4
SMILES
O=C(/C=C/C=C/c1ccccc1)CCc1ccccc1
InChIKey
OWMJDOUOHDOUFG-FNCQTZNRSA-N
InChI
InChI=1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8+

Weigh it out

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

Names and synonyms

4 names
  • 4,6-Heptadien-3-one, 1,7-diphenyl-, (4E,6E)-
  • (4E,6E)-1,7-Diphenyl-4,6-heptadien-3-one
  • 4,6-Heptadien-3-one, 1,7-diphenyl-, (E,E)-
  • (4E,6E)-1,7-Diphenylhepta-4,6-dien-3-one

Work with Alnustone

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

1,9-Diphenylnona-1,3,6,8-tetraen-5-one622-21-956 % similar 1,5-Diphenyl-2,4-pentadien-1-one614-57-353 % similar 5-Phenyl-2,4-pentadienoic acid1552-94-951 % similar 1,6-Diphenyl-1,3,5-hexatriene1720-32-747 % similar Trans,trans-1,4-diphenyl-1,3-butadiene538-81-847 % similar 1,4-Diphenyl-1,3-butadiene886-65-747 % similar Phenethyl cinnamate103-53-746 % similar Benzyl cinnamate103-41-344 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook