chempirical

Desmethoxyyangonin

C14H12O3CAS 15345-89-8228.25 g/mol

Open in Covalent MOL file
OOO
AlkeneEther

Properties

Molecular formula
C14H12O3
Molar mass
228.25 g/mol
Exact mass
228.0786 Da
Melting point
133–134 °C
logP
2.82Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3
Double bonds
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
15345-89-8
SMILES
COc1cc(/C=C/c2ccccc2)oc(=O)c1
InChIKey
DKKJNZYHGRUXBS-BQYQJAHWSA-N
InChI
InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+

Weigh it out

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

Names and synonyms

11 names
  • 2H-Pyran-2-one, 4-methoxy-6-[(1E)-2-phenylethenyl]-
  • 2H-Pyran-2-one, 4-methoxy-6-styryl-, (E)-
  • 2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)-
  • Yangonin, demethoxy-
  • 4-Methoxy-6-[(1E)-2-phenylethenyl]-2H-pyran-2-one
  • trans-5,6-Dehydrokawain
  • 5,6-Dehydrokawain
  • Demethoxyyangonin
  • 5,6-Dehydrokavain
  • NSC 112161
  • NSC 68686

Work with Desmethoxyyangonin

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

Yangonin500-62-981 % similar trans-3,5-Dimethoxystilbene21956-56-957 % similar 4-Methoxystilbene1142-15-051 % similar Resveratrol trimethyl ether22255-22-743 % similar 4′-Methoxychalcone959-23-941 % similar Photoanethole15638-14-941 % similar 4-Methoxycourmarin20280-81-340 % similar Flavokavain B1775-97-940 % similar

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

Same formula

Benzyl salicylate118-58-1 Oxybenzone131-57-7 2-(4-Phenylphenoxy)acetic acid13333-86-3 2-(Benzyloxy)benzoic acid14389-86-7 4-(Benzyloxy)benzoic acid1486-51-7 3'-Methoxy-biphenyl-3-carboxylic acid168618-45-9 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1 2-Phenoxyphenylacetic acid25563-02-4

Elsewhere

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