chempirical

Isoimperatorin

C16H14O4CAS 482-45-1270.28 g/mol

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AlkeneEther

Properties

Molecular formula
C16H14O4
Molar mass
270.28 g/mol
Exact mass
270.0892 Da
Melting point
109 °C
logP
3.88Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
482-45-1
SMILES
CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12
InChIKey
IGWDEVSBEKYORK-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3

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

Names and synonyms

3 names
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-buten-1-yl)oxy]-
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-butenyl)oxy]-
  • 4-[(3-Methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one

Work with Isoimperatorin

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

Bergamottin7380-40-782 % similar Notopterol88206-46-670 % similar Phellopterin2543-94-461 % similar Bergapten484-20-860 % similar (+)-Oxypeucedanin hydrate2643-85-853 % similar Bergaptol486-60-250 % similar 8-Geranyloxypsoralen7437-55-049 % similar Auraptene495-02-347 % 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 Medicarpin32383-76-9 Alpinetin36052-37-6 (-)-Pinostrobin480-37-5 Imperatorin482-44-0 Diphenyl succinate621-14-7

Elsewhere

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