chempirical

4-(Benzyloxy)benzoic acid

C14H12O3CAS 1486-51-7228.25 g/mol

Open in Covalent MOL file
OHOO
Carboxylic acidEther

Properties

Molecular formula
C14H12O3
Molar mass
228.25 g/mol
Exact mass
228.0786 Da
Melting point
187 °C
logP
2.96Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
1486-51-7
SMILES
O=C(O)c1ccc(OCc2ccccc2)cc1
InChIKey
AQSCHALQLXXKKC-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)

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

Names and synonyms

6 names
  • Benzoic acid, 4-(phenylmethoxy)-
  • Benzoic acid, p-(benzyloxy)-
  • 4-(Phenylmethoxy)benzoic acid
  • p-(Benzyloxy)benzoic acid
  • BRL 14280
  • NSC 16633

Work with 4-(Benzyloxy)benzoic acid

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

3,5-Bis(phenylmethoxy)benzoic acid28917-43-374 % similar 4-Phenoxybenzoic acid2215-77-264 % similar 2-[4-(Phenylmethoxy)phenoxy]acetic acid38559-92-162 % similar 4-Benzyloxyacetophenone54696-05-862 % similar 1-[4-(Phenylmethoxy)phenyl]-1-propanone4495-66-361 % similar 4-Benzyloxyphenylacetic acid6547-53-161 % similar Hydroquinone dibenzyl ether621-91-060 % similar 4-Benzyloxy-3,5-dimethylbenzoic acid97888-80-759 % similar

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

Same formula

Benzyl salicylate118-58-1 Oxybenzone131-57-7 2-(4-Phenylphenoxy)acetic acid13333-86-3 2-(Benzyloxy)benzoic acid14389-86-7 Desmethoxyyangonin15345-89-8 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1 Phenyl phenylmethyl carbonate28170-07-2 2,4-Dihydroxyphenyl benzyl ketone3669-41-8

Elsewhere

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