4-Benzyloxyphenylacetic acid

C₁₅H₁₄O₃CAS 6547-53-1242.27 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

(4-(Phenylmethoxy)phenoxy)acetic acid38559-92-179 % similar 4-Phenoxyphenylacetic acid6328-74-169 % similar Phenylacetic acid103-82-268 % similar 4-Ethoxybenzeneacetic acid4919-33-962 % similar 4-(Benzyloxy)benzoic acid1486-51-761 % similar 4-(Benzyloxy)-3-bromophenylacetic acid5884-48-060 % similar Felbinac5728-52-960 % similar 4-Benzyloxyphenylacetic acid methyl ester68641-16-760 % 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 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-0 1-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-3 Fenoprofen31879-05-7 Methyl 4-benzyloxybenzoate32122-11-5 4-Methoxyresveratrol33626-08-3

Elsewhere

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