chempirical

1-[2-(Benzyloxy)phenyl]ethan-1-one

C15H14O2CAS 31165-67-0226.27 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C15H14O2
Molar mass
226.27 g/mol
Exact mass
226.0994 Da
logP
3.47Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
31165-67-0
SMILES
CC(=O)C1=CC=CC=C1OCC2=CC=CC=C2
InChIKey
ZJABPUSDYOXUKS-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c1-12(16)14-9-5-6-10-15(14)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3

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Names and synonyms

1 names
  • 2'-Benzyloxyacetophenone

Work with 1-[2-(Benzyloxy)phenyl]ethan-1-one

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-(2,5-Bis(benzyloxy)phenyl)ethanone21766-81-471 % similar 1-(2-Ethoxyphenyl)ethanone2142-67-866 % similar 2-(Benzyloxy)benzoic acid14389-86-762 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-660 % similar 4-Benzyloxyacetophenone54696-05-858 % similar 2′-Methoxyacetophenone579-74-857 % similar 1-[3,5-Bis(phenylmethoxy)phenyl]ethanone28924-21-256 % similar 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-056 % similar

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

Same formula

2-Methyl 4-benzyloxybenzaldehyde101093-56-5 P-Cresyl phenylacetate101-94-0 Benzyl phenylacetate102-16-9 4'-Methoxy-2-phenylacetophenone1023-17-2 Methyl 4′-methylbiphenyl-2-carboxylate114772-34-8 3',4'-Dimethyl-biphenyl-4-carboxylic acid122294-09-1 1-[3-(Phenylmethoxy)phenyl]ethanone34068-01-4 Methyl α-phenylbenzeneacetate3469-00-9

Elsewhere

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