chempirical

5,6-Dihydro-4-methoxy-6-[(1E)-2-phenylethenyl]-2H-pyran-2-one

C14H14O3CAS 3155-48-4230.26 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterEtherLactone

Properties

Molecular formula
C14H14O3
Molar mass
230.26 g/mol
Exact mass
230.0943 Da
Melting point
146–147 °C
logP
2.55Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
3155-48-4
SMILES
COC1=CC(=O)OC(/C=C/c2ccccc2)C1
InChIKey
XEAQIWGXBXCYFX-BQYQJAHWNA-N
InChI
InChI=1/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+

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

Names and synonyms

8 names
  • 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-[(1E)-2-phenylethenyl]-
  • 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, (E)-(±)-
  • 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, (±)-
  • DL-Kawain
  • (±)-Kawain
  • Dl-Kavain
  • 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, (E)-
  • (±)-Kavain

Work with 5,6-Dihydro-4-methoxy-6-[(1E)-2-phenylethenyl]-2H-pyran-2-one

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

Methysticin495-85-266 % similar Dihydrokavain587-63-356 % similar Methyl cinnamate103-26-449 % similar Isopropyl cinnamate7780-06-543 % similar Isobutyl cinnamate122-67-840 % similar Ethyl cinnamate103-36-640 % similar Phenethyl cinnamate103-53-739 % similar Isoamyl cinnamate7779-65-938 % similar

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

Same formula

Demethylsuberosin21422-04-8 Naproxen22204-53-1 (R)-Naproxen23979-41-1 (±)-Naproxen23981-80-8 (±)-Naproxen26159-31-9 Kavain500-64-1 Pindone83-26-1

Elsewhere

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