chempirical

Dihydrochalcone

C15H14OCAS 1083-30-3210.28 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C15H14O
Molar mass
210.28 g/mol
Exact mass
210.1045 Da
Density
1.0614 g/mL (at 23 °C)
Melting point
72 °C
Boiling point
145–150 °C (at 7 Torr)
logP
3.50Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
1083-30-3
SMILES
O=C(CCc1ccccc1)c1ccccc1
InChIKey
QGGZBXOADPVUPN-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2

Weigh it out

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

Names and synonyms

19 names · show all
  • 1-Propanone, 1,3-diphenyl-
  • Propiophenone, 3-phenyl-
  • Propiophenone, β-phenyl-
  • 1,3-Diphenyl-1-propanone
  • Hydrochalcone
  • Hydrocinnamophenone
  • 2-Phenethyl phenyl ketone
  • 1,3-Diphenyl-1-oxopropane
  • Phenethyl phenyl ketone
  • β-Phenylpropiophenone
  • ω-Benzylacetophenone
  • Benzylacetophenone
  • Phenyl phenethyl ketone
  • 3-Phenylpropiophenone
  • 2-Benzylacetophenone
  • Phenylethyl phenyl ketone
  • 1-Benzoyl-2-phenylethane
  • 2,3-Dihydrobenzalacetophenone
  • NSC 12245

Reactions

Work with Dihydrochalcone

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

1,4-Diphenyl-1,4-butanedione495-71-674 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-068 % similar Butyrophenone495-40-961 % similar 3-Chloropropiophenone936-59-461 % similar 4-Chlorobutyrophenone939-52-657 % similar 2′-Hydroxydihydrochalcone3516-95-856 % similar 2-Aminoacetophenone613-89-856 % similar Hexanophenone942-92-755 % similar

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

Same formula

Dibenzyl ketone102-04-5 2,4-Dimethylbenzophenone1140-14-3 4-Methoxystilbene1142-15-0 Dibenzosuberol1210-34-0 3,4'-Dimethylbenzophenone13152-94-8 4-Ethylbenzophenone18220-90-1 9,9-Dimethyl-9H-xanthene19814-75-6 3,4-Dimethylbenzophenone2571-39-3

Elsewhere

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