chempirical

1,1′-[4,6-Dihydroxy-5-[3-(triethoxysilyl)propyl]-1,3-phenylene]bis[1-phenylmethanone]

C29H34O7SiCAS 166255-23-8522.67 g/mol

Open in Covalent MOL file
OSiHOOOHOOO
KetonePhenolSilyl ether

Properties

Molecular formula
C29H34O7Si
Molar mass
522.67 g/mol
Exact mass
522.2074 Da
logP
5.54Crippen estimate
Polar surface area
102.3 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
14

Identifiers

CAS number
166255-23-8
SMILES
CCO[Si](CCCc1c(O)c(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)c1O)(OCC)OCC
InChIKey
XMUJOZHWDJHRDO-UHFFFAOYSA-N
InChI
InChI=1S/C29H34O7Si/c1-4-34-37(35-5-2,36-6-3)19-13-18-23-28(32)24(26(30)21-14-9-7-10-15-21)20-25(29(23)33)27(31)22-16-11-8-12-17-22/h7-12,14-17,20,32-33H,4-6,13,18-19H2,1-3H3

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Names and synonyms

4 names
  • Methanone, 1,1′-[4,6-dihydroxy-5-[3-(triethoxysilyl)propyl]-1,3-phenylene]bis[1-phenyl-
  • Methanone, [4,6-dihydroxy-5-[3-(triethoxysilyl)propyl]-1,3-phenylene]bis[phenyl-
  • 4,6-Dibenzoyl-2-(3-triethoxysilylpropyl)resorcinol
  • [4,6-Dihydroxy-5-[3-(triethoxysilyl)propyl]-1,3-phenylene]bis[phenylmethanone]

Work with 1,1′-[4,6-Dihydroxy-5-[3-(triethoxysilyl)propyl]-1,3-phenylene]bis[1-phenylmethanone]

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

1,1′-[4,6-Dihydroxy-5-(2-propen-1-yl)-1,3-phenylene]bis[1-phenylmethanone]102593-74-849 % similar 4,6-Dibenzoylresorcinol3088-15-144 % similar 2-Hydroxy-5-methylbenzophenone1470-57-139 % similar 2,3,4-Trihydroxybenzophenone1143-72-238 % similar Octabenzone1843-05-638 % similar 2-Hydroxy-4-dodecyloxybenzophenone2985-59-338 % similar Oxybenzone131-57-737 % similar Benzophenone 785-19-836 % similar

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

Elsewhere

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