(±)-Flavanone

C15H12O2CAS 487-26-3224.26 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C15H12O2
Molar mass
224.26 g/mol
Exact mass
224.0837 Da
Density
0.9 g/mL
Melting point
77 °C
logP
3.39Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
487-26-3
SMILES
O=C1CC(c2ccccc2)Oc2ccccc21
InChIKey
ZONYXWQDUYMKFB-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.89 (dd, J = 7.7, 1.6 Hz, 1H), 7.48 (td, J = 7.7, 1.6 Hz, 1H), 7.29 (m, J = 7.7, 1.6 Hz, 2H), 7.29 (m, J = 7.7 Hz, 2H), 7.29 (m, J = 7.7, 1.6 Hz, 1H), 7.06 (td, J = 7.7, 1.6 Hz, 1H), 7.02 (dd, J = 7.7, 1.6 Hz, 1H), 5.77 (t, J = 7.0 Hz, 1H), 3.20 (d, J = 7.0 Hz, 2H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 200.7, 159.6, 140.8, 134.0, 129.2, 128.5, 127.5, 126.9, 122.6, 120.8, 114.1, 81.8, 45.1.
[M + H]+
[M + H]+ Calcd for C15H13O2 225.0910
[M + Na]+
[M + Na]+ Calcd for C15H12NaO2 247.0730
[M − H]−
[M − H]− Calcd for C15H11O2 223.0765
Elemental analysis
Anal. Calcd for C15H12O2: C, 80.34; H, 5.39.

Weigh it out

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

Names and synonyms

12 names
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-2-phenyl-
  • Flavanone
  • 2,3-Dihydro-2-phenyl-4H-1-benzopyran-4-one
  • 2-Phenyl-4-chromanone
  • 4-Flavanone
  • DL-Flavanone
  • NSC 50393
  • 2-Phenyl-3,4-dihydro-2H-benzopyran-4-one
  • 2-Phenyl-3,4-dihydrobenzopyran-4-one
  • 2-Phenyldihydrobenzopyran-4-one
  • 2-Phenyl-3,4-dihydro-2H-1-benzopyran-4-one
  • 2-Phenyl-2,3-dihydrochromen-4-one

Work with (±)-Flavanone

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′-Hydroxyflavanone6515-37-376 % similar (±)-6-Hydroxyflavanone4250-77-568 % similar 7-Hydroxyflavanone6515-36-268 % similar 6-Methoxyflavanone3034-04-664 % similar 2′-Hydroxyflavanone17348-76-463 % similar Liquiritigenin578-86-955 % similar (+)-Pinocembrin480-39-753 % similar Alpinetin36052-37-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dibenzoylmethane120-46-7 2′-Hydroxychalcone1214-47-7 3-[1,1′-Biphenyl]-4-yl-2-propenoic acid13026-23-8 4-Hydroxychalcone20426-12-4 4′-Hydroxychalcone2657-25-2 Phenyl cinnamate2757-04-2 2-Hydroxychalcone42224-53-3 Chalcone epoxide5411-12-1

Elsewhere

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