1,5-Bis(4-hydroxyphenyl)-1,4-pentadien-3-one

C₁₇H₁₄O₃CAS 3654-49-7266.30 g/mol

Open in Covalent MOL file

Alkene Ketone Phenol

Properties

Molecular formula: C₁₇H₁₄O₃
Molar mass: 266.30 g/mol
Exact mass: 266.0943 Da
Melting point: 237–238 °C
logP: 3.39Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Identifiers

CAS number

3654-49-7

SMILES

O=C(C=Cc1ccc(O)cc1)C=Cc1ccc(O)cc1

InChIKey

FTEGUKWEUQPKIS-UHFFFAOYSA-N

InChI

InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H

Weigh it out

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

Names and synonyms

6 names

1,4-Pentadien-3-one, 1,5-bis(4-hydroxyphenyl)-
1,4-Pentadien-3-one, 1,5-bis(p-hydroxyphenyl)-
1,3-Bis(p-hydroxybenzylidene)acetone
1,5-Bis(p-hydroxyphenyl)-1,4-pentadien-3-one
1,5-Bis(4-hydroxyphenyl)penta-1,4-dien-3-one
1,3-Bis(4-hydroxybenzylidene)acetone

Work with 1,5-Bis(4-hydroxyphenyl)-1,4-pentadien-3-one

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

Quinhydrone106-34-371 % similar P-Coumaric acid501-98-466 % similar P-Coumaric acid7400-08-066 % similar (4-Hydroxybenzylidene)acetone3160-35-863 % similar Bisdemethoxycurcumin33171-05-063 % similar 4-Hydroxychalcone20426-12-459 % similar (1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one35225-79-759 % similar Dibenzylideneacetone538-58-959 % similar

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

Same formula

Benzarone1477-19-6 5-Methyl-7-methoxyisoflavone82517-12-2

Elsewhere

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