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

C16H16O3CAS 1835-11-6256.30 g/mol

Open in Covalent MOL file
OOO
EtherKetone

Properties

Molecular formula
C16H16O3
Molar mass
256.30 g/mol
Exact mass
256.1099 Da
Melting point
85–87 °C
logP
3.48Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Warning
Environmental Hazard (GHS09)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
1835-11-6
SMILES
COc1cc(C(C)=O)ccc1OCc1ccccc1
InChIKey
HRUAWSQBQLYDKH-UHFFFAOYSA-N
InChI
InChI=1S/C16H16O3/c1-12(17)14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • Ethanone, 1-[3-methoxy-4-(phenylmethoxy)phenyl]-
  • Acetophenone, 4′-(benzyloxy)-3′-methoxy-
  • 1-[3-Methoxy-4-(phenylmethoxy)phenyl]ethanone
  • 3′-Methoxy-4′-(benzyloxy)acetophenone
  • 4′-(Benzyloxy)-3′-methoxyacetophenone
  • 1-(3-Methoxy-4-phenylmethoxyphenyl)ethanone
  • NSC 201234
  • Acetovanillone benzyl ether
  • 1-[4-(Benzyloxy)-3-methoxyphenyl]ethan-1-one
  • 1-(4-Benzyloxy-3-methoxy-phenyl)-ethanone

Work with 1-(4-Benzyloxy-3-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

4-(Benzyloxy)-3-methoxybenzoic acid1486-53-970 % similar 1-[2-Amino-5-methoxy-4-(phenylmethoxy)phenyl]ethanone75665-73-569 % similar 3,4-Dimethoxyacetophenone1131-62-066 % similar 3-Benzyloxy-4-methoxybenzoic acid58452-00-963 % similar 1-[3-Nitro-4-(phenylmethoxy)phenyl]ethanone14347-05-861 % similar 1-(2,5-Bis(benzyloxy)phenyl)ethanone21766-81-460 % similar 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-060 % similar 4-Benzyloxyacetophenone54696-05-860 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Bis(4-methoxyphenyl)ethanone120-44-5 2,2-Dimethoxy-2-phenylacetophenone24650-42-8 Ethyl benzilate52182-15-7 Pterostilbene537-42-8 Ethyl 4-(phenylmethoxy)benzoate56441-55-5 4-Benzyloxy-3-ethoxybenzaldehyde60186-33-6 4-Benzyloxyphenylacetic acid methyl ester68641-16-7 Ethyl 4'-methoxy[1,1'-biphenyl]-4-carboxylate732-80-9

Elsewhere

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