chempirical

1,1′-[4,6-Dihydroxy-5-(2-propen-1-yl)-1,3-phenylene]bis[1-phenylmethanone]

C23H18O4CAS 102593-74-8358.39 g/mol

Open in Covalent MOL file
HOOOHO
AlkeneKetonePhenol

Properties

Molecular formula
C23H18O4
Molar mass
358.39 g/mol
Exact mass
358.1205 Da
logP
4.29Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Identifiers

CAS number
102593-74-8
SMILES
C=CCc1c(O)c(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)c1O
InChIKey
FSYGSBMXRNPJAD-UHFFFAOYSA-N
InChI
InChI=1S/C23H18O4/c1-2-9-17-22(26)18(20(24)15-10-5-3-6-11-15)14-19(23(17)27)21(25)16-12-7-4-8-13-16/h2-8,10-14,26-27H,1,9H2

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Names and synonyms

5 names
  • Methanone, 1,1′-[4,6-dihydroxy-5-(2-propen-1-yl)-1,3-phenylene]bis[1-phenyl-
  • Resorcinol, 2-allyl-4,6-dibenzoyl-
  • Methanone, [4,6-dihydroxy-5-(2-propenyl)-1,3-phenylene]bis[phenyl-
  • 2-Allyl-4,6-dibenzoylresorcinol
  • (5-Benzoyl-2,4-dihydroxy-3-prop-2-enylphenyl)-phenylmethanone

Work with 1,1′-[4,6-Dihydroxy-5-(2-propen-1-yl)-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

4-(Allyloxy)-2-hydroxybenzophenone2549-87-350 % similar 4,6-Dibenzoylresorcinol3088-15-150 % similar 1,1′-[4,6-Dihydroxy-5-[3-(triethoxysilyl)propyl]-1,3-phenylene]bis[1-phenylmethanone]166255-23-849 % similar 2,3,4-Trihydroxybenzophenone1143-72-247 % similar 2-Hydroxybenzophenone117-99-744 % similar 1,2-Dibenzoylbenzene1159-86-043 % similar 2,4-Dihydroxybenzophenone131-56-642 % similar 2-Fluorobenzophenone342-24-540 % similar

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

Elsewhere

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