chempirical

4-Benzyloxyphenylacetic acid

C15H14O3CAS 6547-53-1242.27 g/mol

Open in Covalent MOL file
OHOO
Carboxylic acidEther

Properties

Molecular formula
C15H14O3
Molar mass
242.27 g/mol
Exact mass
242.0943 Da
Melting point
114 °C
logP
2.89Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
6547-53-1
SMILES
O=C(O)Cc1ccc(OCc2ccccc2)cc1
InChIKey
XJHGAJLIKDAOPE-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O3/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)

Weigh it out

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

Names and synonyms

7 names
  • Benzeneacetic acid, 4-(phenylmethoxy)-
  • Acetic acid, [p-(benzyloxy)phenyl]-
  • 4-(Phenylmethoxy)benzeneacetic acid
  • p-Benzyloxyphenylacetic acid
  • 2-(4-Benzyloxyphenyl)acetic acid
  • NSC 134561
  • 2-(4-Phenylmethoxyphenyl)acetic acid

Work with 4-Benzyloxyphenylacetic 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

2-[4-(Phenylmethoxy)phenoxy]acetic acid38559-92-179 % similar Phenylacetic acid103-82-268 % similar 4-Ethoxybenzeneacetic acid4919-33-962 % similar 4-(Benzyloxy)benzoic acid1486-51-761 % similar Felbinac5728-52-960 % similar Benzyloxyacetic acid30379-55-658 % similar Hydroquinone dibenzyl ether621-91-058 % similar 1,4-Benzenediacetic acid7325-46-458 % 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 Fenoprofen31879-05-7 4-Methoxyresveratrol33626-08-3 Bis(phenylmethyl) carbonate3459-92-5 Pinostilbene42438-89-1 β-Lapachone4707-32-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook