chempirical

Liquiritigenin

C15H12O4CAS 578-86-9256.26 g/mol

Open in Covalent MOL file
OOHOHO
EtherKetonePhenol

Properties

Molecular formula
C15H12O4
Molar mass
256.26 g/mol
Exact mass
256.0736 Da
Melting point
182–183 °C
logP
2.80Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Stereocentres
Sin SMILES atom 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
578-86-9
SMILES
O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21
InChIKey
FURUXTVZLHCCNA-AWEZNQCLSA-N
InChI
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-, (2S)-
  • Flavanone, 4′,7-dihydroxy-
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-, (S)-
  • (2S)-2,3-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 7,4′-Dihydroxyflavanone
  • 4′,7-Dihydroxyflavanone
  • (-)-(2S)-7,4′-Dihydroxyflavanone
  • (2S)-Liquiritigenin
  • (-)-(S)-4′,7-Dihydroxyflavanone
  • (-)-Liquiritigenin
  • Menerba
  • (2S)-7-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

Work with Liquiritigenin

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

7-Hydroxyflavanone6515-36-285 % similar 4′-Hydroxyflavanone6515-37-375 % similar (±)-6-Hydroxyflavanone4250-77-567 % similar Naringenin480-41-166 % similar (+-)-Naringenin67604-48-266 % similar (+-)-Naringenin93602-28-966 % similar Liquiritin551-15-563 % similar Bavachin19879-32-460 % similar

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

Same formula

2-(4-Methoxybenzoyl)benzoic acid1151-15-1 Monobenzyl phthalate2528-16-7 (+)-Pinocembrin480-39-7 Isoliquiritigenin961-29-5

Elsewhere

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