chempirical

1,1′-(Oxydi-4,1-phenylene)bis[2-hydroxy-2-methyl-1-propanone]

C20H22O5CAS 71868-15-0342.39 g/mol

Open in Covalent MOL file
HOOOOOH
AlcoholEtherKetone

Properties

Molecular formula
C20H22O5
Molar mass
342.39 g/mol
Exact mass
342.1467 Da
logP
3.39Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6

Identifiers

CAS number
71868-15-0
SMILES
CC(C)(O)C(=O)c1ccc(Oc2ccc(C(=O)C(C)(C)O)cc2)cc1
InChIKey
LYGZOGDWCOYSGJ-UHFFFAOYSA-N
InChI
InChI=1S/C20H22O5/c1-19(2,23)17(21)13-5-9-15(10-6-13)25-16-11-7-14(8-12-16)18(22)20(3,4)24/h5-12,23-24H,1-4H3

Weigh it out

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

Names and synonyms

5 names
  • 1-Propanone, 1,1′-(oxydi-4,1-phenylene)bis[2-hydroxy-2-methyl-
  • 2-Hydroxy-1-[4-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one
  • Esacure KIP 160
  • 2-Hydroxy-1-[4-[4-(2-hydroxy-2-methylpropionyl)phenoxy]phenyl]-2-methylpropanone
  • Irgacure KIP 160

Work with 1,1′-(Oxydi-4,1-phenylene)bis[2-hydroxy-2-methyl-1-propanone]

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

2-Hydroxy-4′-(2-hydroxyethoxy)-2-methylpropiophenone106797-53-965 % similar 2-Hydroxy-2-methyl-1-phenylpropan-1-one7473-98-565 % similar Iht-pi 18568400-54-464 % similar 1,1′-(Oxydi-4,1-phenylene)bis[ethanone]2615-11-450 % similar 4,4′-Oxybis[benzoic acid]2215-89-647 % similar 1-(4-Phenoxyphenyl)ethanone5031-78-744 % similar 4-Phenoxybenzoic acid2215-77-242 % similar 4,4′-Oxydibenzoyl chloride7158-32-941 % similar

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

Same formula

4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenol78919-28-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook