1-(3-Hydroxy-4-methoxyphenyl)ethanone

C9H10O3CAS 6100-74-9166.18 g/mol

Open in Covalent MOL file
OOHO
EtherKetonePhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
91 °C
logP
1.60Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
6100-74-9
SMILES
COc1ccc(C(C)=O)cc1O
InChIKey
YLTGFGDODHXMFB-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • Ethanone, 1-(3-hydroxy-4-methoxyphenyl)-
  • Acetophenone, 3′-hydroxy-4′-methoxy-
  • Isoacetovanillone
  • 3′-Hydroxy-4′-methoxyacetophenone
  • 2-Methoxy-5-acetylphenol
  • 5-Acetyl-2-methoxyphenol
  • 4′-Methoxy-3′-hydroxyacetophenone
  • Acetoisovanillone
  • NSC 30050
  • 4-Acetyl-2-hydroxy-1-methoxybenzene
  • 1-(3-Hydroxy-4-methoxyphenyl)ethan-1-one

Work with 1-(3-Hydroxy-4-methoxyphenyl)ethanone

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

Apocynin498-02-276 % similar 3,4-Dimethoxyacetophenone1131-62-070 % similar Isovanillic acid645-08-967 % similar Methyl 3-hydroxy-4-methoxybenzoate6702-50-765 % similar 3',4'-Dihydroxyacetophenone1197-09-764 % similar 1-(3-Bromo-4-methoxyphenyl)ethanone35310-75-962 % similar 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-462 % similar 3'-Iodo-4'-methoxyacetophenone79324-77-962 % 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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