4-Benzyloxyphenylacetic acid methyl ester

C16H16O3CAS 68641-16-7256.30 g/mol

Open in Covalent MOL file
OOO
EsterEther

Properties

Molecular formula
C16H16O3
Molar mass
256.30 g/mol
Exact mass
256.1099 Da
logP
2.98Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Warning
Environmental Hazard (GHS09)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
68641-16-7
SMILES
COC(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2
InChIKey
OUWFDISHMBDYON-UHFFFAOYSA-N
InChI
InChI=1S/C16H16O3/c1-18-16(17)11-13-7-9-15(10-8-13)19-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3

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Names and synonyms

1 names
  • Methyl 2-(4-benzyloxyphenyl)acetate

Work with 4-Benzyloxyphenylacetic acid methyl ester

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

Methyl phenylacetate101-41-773 % similar Methyl 4-benzyloxybenzoate32122-11-564 % similar Methyl 4-methoxybenzeneacetate23786-14-362 % similar 4-Benzyloxyphenylacetic acid6547-53-160 % similar 4-Methoxycarbonylmethyl-benzoic acid methyl ester52787-14-156 % similar Methyl 2-phenoxyacetate2065-23-855 % similar p-Tolylacetic acid methyl ester23786-13-255 % similar Benzyl methyl malonate52267-39-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Bis(4-methoxyphenyl)ethanone120-44-5 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-6 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 Ethyl 4'-methoxy[1,1'-biphenyl]-4-carboxylate732-80-9

Elsewhere

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