chempirical

Loureirin A

C17H18O4CAS 119425-89-7286.33 g/mol

Open in Covalent MOL file
OOOHO
EtherKetonePhenol

Properties

Molecular formula
C17H18O4
Molar mass
286.33 g/mol
Exact mass
286.1205 Da
logP
3.22Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6

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
119425-89-7
SMILES
COc1ccc(CCC(=O)c2ccc(O)cc2)c(OC)c1
InChIKey
RSAIVLRELNGZEY-UHFFFAOYSA-N
InChI
InChI=1S/C17H18O4/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-5,7-9,11,18H,6,10H2,1-2H3

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

Names and synonyms

3 names
  • 1-Propanone, 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)-
  • 3-(2,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)-1-propanone
  • 4′-Hydroxy-2,4-dimethoxydihydrochalcone

Work with Loureirin A

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 C116384-24-883 % similar Loureirin B119425-90-073 % similar 2,4-Dimethoxy-4'-hydroxybenzophenone41351-30-856 % similar 6-Methoxy-1-indanone13623-25-156 % similar 5-Methoxy-1-indanone5111-70-652 % similar 2-(2,4-Dimethoxyphenyl)acetic acid6496-89-550 % similar 3-(2,5-Dimethoxyphenyl)propionic acid10538-49-548 % similar 4-Methoxy-γ-oxobenzenebutanoic acid3153-44-448 % similar

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

Same formula

Diphenolic acid126-00-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook