chempirical

Echinatin

C16H14O4CAS 34221-41-5270.28 g/mol

Open in Covalent MOL file
OHOOOH
AlkeneEtherKetonePhenol

Properties

Molecular formula
C16H14O4
Molar mass
270.28 g/mol
Exact mass
270.0892 Da
logP
3.00Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
34221-41-5
SMILES
COC1=C(C=CC(=C1)O)/C=C/C(=O)C2=CC=C(C=C2)O
InChIKey
QJKMIJNRNRLQSS-WEVVVXLNSA-N
InChI
InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+

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Names and synonyms

1 names
  • 4,4'-Dihydroxy-2-methoxychalcone

Work with Echinatin

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

Licochalcone B58749-23-864 % similar Licochalcone A58749-22-763 % similar 4-Hydroxy-2-methoxybenzaldehyde18278-34-755 % similar Licochalcone C144506-14-955 % similar 4′-Hydroxychalcone2657-25-251 % similar Loureirin C116384-24-848 % similar (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-448 % similar 2,4-Dimethoxycinnamic acid6972-61-848 % similar

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

Same formula

4,4′-Dimethoxybenzil1226-42-2 Cardamomin19309-14-9 1-(Phenylmethyl) 2-phenylpropanedioate25774-02-1 3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-dicarbaldehyde27343-98-2 Medicarpin32383-76-9 4,4'-Diacetoxybiphenyl32604-29-8 Alpinetin36052-37-6 (-)-Pinostrobin480-37-5

Elsewhere

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