chempirical

(4-Hydroxybenzylidene)acetone

C10H10O2CAS 3160-35-8162.19 g/mol

Open in Covalent MOL file
OOH
AlkeneKetonePhenol

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
Melting point
114–115 °C
logP
1.99Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

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
3160-35-8
SMILES
CC(=O)C=Cc1ccc(O)cc1
InChIKey
OCNIKEFATSKIBE-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3

Weigh it out

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

Names and synonyms

10 names
  • 3-Buten-2-one, 4-(4-hydroxyphenyl)-
  • 3-Buten-2-one, 4-(p-hydroxyphenyl)-
  • 4-(4-Hydroxyphenyl)-3-buten-2-one
  • 4-Hydroxybenzalacetone
  • p-Hydroxybenzalacetone
  • 4-(p-Hydroxyphenyl)-3-buten-2-one
  • 4-(4′-Hydroxyphenyl)-3-buten-2-one
  • 4-Hydroxystyryl methyl ketone
  • NSC 26516
  • 4-(4-Hydroxyphenyl)but-3-ene-2-one

Work with (4-Hydroxybenzylidene)acetone

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-Phenyl-3-buten-2-one122-57-663 % similar trans-4-Phenyl-3-buten-2-one1896-62-463 % similar 1,5-Bis(4-hydroxyphenyl)-1,4-pentadien-3-one3654-49-763 % similar 4-(4-Chlorophenyl)-3-buten-2-one3160-40-563 % similar P-Coumaric acid501-98-459 % similar p-Coumaric acid7400-08-059 % similar Bisdemethoxycurcumin33171-05-058 % similar Methyl 4-hydroxycinnamate19367-38-557 % similar

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

Same formula

Gamma-Phenyl-gamma-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-7 6-Methoxy-1-indanone13623-25-1

Elsewhere

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