chempirical

2-(Phenoxymethyl)benzoic acid

C14H12O3CAS 724-98-1228.25 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
123–124 °C
Boiling point
155–158 °C (at 0.03 Torr)
logP
2.96Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
724-98-1
SMILES
O=C(O)c1ccccc1COc1ccccc1
InChIKey
YKNORODREYVARM-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O3/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)

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

Names and synonyms

2 names
  • Benzoic acid, 2-(phenoxymethyl)-
  • o-Toluic acid, α-phenoxy-

Work with 2-(Phenoxymethyl)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

2-(2-Phenylethyl)benzoic acid4890-85-158 % similar 2-Phenoxybenzoic acid2243-42-754 % similar Phthalic acid88-99-352 % similar Monobenzyl phthalate2528-16-749 % similar 3,5-Bis(phenylmethoxy)benzoic acid28917-43-349 % similar 2-Phenoxynicotinic acid35620-71-448 % similar 2-Ethoxybenzoic acid134-11-248 % similar Dibenz[B,E]oxepin-11(6H)-one4504-87-447 % 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 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1 Phenyl phenylmethyl carbonate28170-07-2

Elsewhere

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