Benzyl 4-hydroxybenzoate

C14H12O3CAS 94-18-8228.25 g/mol

Open in Covalent MOL file
OOHO
EsterPhenol

Properties

Molecular formula
C14H12O3
Molar mass
228.25 g/mol
Exact mass
228.0786 Da
Melting point
111 °C
logP
2.75Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 339 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
94-18-8
SMILES
O=C(OCc1ccccc1)c1ccc(O)cc1
InChIKey
MOZDKDIOPSPTBH-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzoic acid, 4-hydroxy-, phenylmethyl ester
  • Benzoic acid, p-hydroxy-, benzyl ester
  • Benzylparaben
  • Benzyl parasept
  • Benzyl tegosept
  • p-Hydroxybenzoic acid benzyl ester
  • Nipabenzyl
  • Parosept
  • Solbrol Z
  • Benzyl p-hydroxybenzoate
  • 4-(Benzyloxycarbonyl)phenol
  • POB-BZ
  • 4-Hydroxybenzoic acid benzyl ester
  • NSC 8080
  • 4-Hydroxybenzoic acid, phenylmethyl ester
  • Benzyl 4-hydroxylbenzoate

Work with Benzyl 4-hydroxybenzoate

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

Benzyl benzoate120-51-474 % similar (4-Benzyloxycarbonylphenyl)boronic acid184000-11-166 % similar Benzyl phthalate523-31-959 % similar Ethylparaben120-47-858 % similar Phenylparaben17696-62-758 % similar Propylparaben94-13-355 % similar Benzyl nicotinate94-44-055 % similar p-Hydroxyphenyl benzoate2444-19-154 % 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 4-(Benzyloxy)benzoic acid1486-51-7 Desmethoxyyangonin15345-89-8 3'-Methoxy-biphenyl-3-carboxylic acid168618-45-9 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1

Elsewhere

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