chempirical

Loureirin B

C18H20O5CAS 119425-90-0316.35 g/mol

Open in Covalent MOL file
OOOOHO
EtherKetonePhenol

Properties

Molecular formula
C18H20O5
Molar mass
316.35 g/mol
Exact mass
316.1311 Da
logP
3.23Crippen estimate
Polar surface area
65.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
7

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
119425-90-0
SMILES
COc1cc(OC)c(CCC(=O)c2ccc(O)cc2)c(OC)c1
InChIKey
ZPFRAPVRYLGYEC-UHFFFAOYSA-N
InChI
InChI=1S/C18H20O5/c1-21-14-10-17(22-2)15(18(11-14)23-3)8-9-16(20)12-4-6-13(19)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3

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Names and synonyms

3 names
  • 1-Propanone, 1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)-
  • 1-(4-Hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)-1-propanone
  • 4′-Hydroxy-2,4,6-trimethoxydihydrochalcone

Work with Loureirin B

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

Loureirin A119425-89-773 % similar Loureirin C116384-24-867 % similar 2,4-Dimethoxy-4'-hydroxybenzophenone41351-30-852 % similar 4′-Hydroxybutyrophenone1009-11-649 % similar 4-Methoxy-γ-oxobenzenebutanoic acid3153-44-447 % similar 1-(4-Hydroxyphenyl)-1-pentanone2589-71-147 % similar 1-(4-Methoxyphenyl)-1-butanone4160-51-447 % similar Sakuranetin2957-21-346 % similar

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

Same formula

Combretastatin A-4117048-59-6

Elsewhere

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