chempirical

4'-Benzyloxy-2'-hydroxyacetophenone

C15H14O3CAS 29682-12-0242.27 g/mol

Open in Covalent MOL file
OOHO
EtherKetonePhenol

Properties

Molecular formula
C15H14O3
Molar mass
242.27 g/mol
Exact mass
242.0943 Da
logP
3.17Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
29682-12-0
SMILES
CC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)O
InChIKey
AGQNLHOTLJFJCG-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O3/c1-11(16)14-8-7-13(9-15(14)17)18-10-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3

Weigh it out

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

Work with 4'-Benzyloxy-2'-hydroxyacetophenone

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)ethanone21766-81-467 % similar 1-[3-(Phenylmethoxy)phenyl]ethanone34068-01-463 % similar 4-Benzyloxyacetophenone54696-05-860 % similar Paeonol552-41-060 % similar 1-[3,5-Bis(phenylmethoxy)phenyl]ethanone28924-21-258 % similar 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-056 % similar 4'-Amino-2'-hydroxyacetophenone2476-29-151 % similar 2'-Hydroxyacetophenone104809-67-850 % similar

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

Same formula

Mexenone1641-17-4 2-(Benzyloxy)phenylacetic acid22047-88-7 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-1 1-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-3 Fenoprofen31879-05-7 Methyl 4-benzyloxybenzoate32122-11-5 4-Methoxyresveratrol33626-08-3 Bis(phenylmethyl) carbonate3459-92-5

Elsewhere

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