4-(Benzyloxy)benzoic acid

C₁₄H₁₂O₃CAS 1486-51-7228.25 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation14.6% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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-(4-Phenylbutoxy)benzoic acid30131-16-970 % similar 4-Benzyloxybenzophenone54589-41-266 % similar 4-Phenoxybenzoic acid2215-77-264 % similar 4-(Benzyloxy)benzoyl chloride1486-50-662 % similar (4-(Phenylmethoxy)phenoxy)acetic acid38559-92-162 % similar 4-Benzyloxyacetophenone54696-05-862 % similar Methyl 4-benzyloxybenzoate32122-11-561 % 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 3'-Methoxy-biphenyl-3-carboxylic acid168618-45-9 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1 2-Phenoxyphenylacetic acid25563-02-4

Elsewhere

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