chempirical

Paeonol

C9H10O3CAS 552-41-0166.18 g/mol

Open in Covalent MOL file
OOOH
EtherKetonePhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
52.5 °C
Boiling point
145–147 °C (at 5 Torr)
logP
1.60Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
552-41-0
SMILES
COc1ccc(C(C)=O)c(O)c1
InChIKey
UILPJVPSNHJFIK-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3

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Names and synonyms

16 names · show all
  • Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-
  • Peonol
  • Acetophenone, 2′-hydroxy-4′-methoxy-
  • 1-(2-Hydroxy-4-methoxyphenyl)ethanone
  • 4-O-Methylresacetophenone
  • 2′-Hydroxy-4′-methoxyacetophenone
  • Resacetophenone 4-O-methyl ether
  • 2-Acetyl-5-methoxyphenol
  • 4′-Methoxy-2′-hydroxyacetophenone
  • 2-Hydroxy-4-methoxyphenyl methyl ketone
  • NSC 401442
  • 1-(4-Methoxy-2-hydroxyphenyl)ethanone
  • 1-(2-Hydroxy-4-methoxyphenyl)ethan-1-one
  • Paeonolum
  • Paconol
  • 4-Methoxy-2-hydroxyacetophenone

Work with Paeonol

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Similar compounds

2′-Hydroxy-5′-methoxyacetophenone705-15-776 % similar 2,2′-Dihydroxy-4,4′-dimethoxybenzophenone131-54-471 % similar 4-Methoxysalicylic acid2237-36-769 % similar 2′,4′-Dimethoxyacetophenone829-20-966 % similar Methyl 4-methoxysalicylate5446-02-665 % similar Dioxybenzone131-53-362 % similar 2′,5′-Dimethoxyacetophenone1201-38-361 % similar Oxybenzone131-57-760 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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