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

C9H10O3CAS 4136-21-4166.18 g/mol

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OOOH
AlcoholEtherKetone

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
105 °C
logP
0.87Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4136-21-4
SMILES
COc1ccc(C(=O)CO)cc1
InChIKey
YTOKFOPFITZGDM-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,10H,6H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Ethanone, 2-hydroxy-1-(4-methoxyphenyl)-
  • Acetophenone, 2-hydroxy-4′-methoxy-
  • 2-Hydroxy-4′-methoxyacetophenone
  • 1-p-Anisyl-2-hydroxyethanone
  • α-Hydroxy-4-methoxyacetophenone
  • NSC 67341
  • 1-(4-Methoxyphenyl)-2-hydroxyethanone
  • 2-Hydroxy-1-(4-methoxyphenyl)ethan-1-one

Work with 2-Hydroxy-1-(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

1-(4-Methoxyphenyl)-1-propanone121-97-166 % similar 1,2-Bis(4-methoxyphenyl)ethanone120-44-564 % similar 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-864 % similar 4-Methoxyphenacyl bromide2632-13-564 % similar 2-Amino-4'-methoxyacetophenone40513-43-764 % similar 1-(4-Methoxyphenyl)-1-butanone4160-51-462 % similar 4-Methoxy-γ-oxobenzenebutanoic acid3153-44-461 % similar 3-Chloro-1-(4-methoxyphenyl)propan-1-one35999-20-360 % 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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