2-(4-Phenylphenoxy)acetic acid

C₁₄H₁₂O₃CAS 13333-86-3228.25 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
logP: 2.82Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Identifiers

CAS number

13333-86-3

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)O

InChIKey

UEXMWDXKHUIBSJ-UHFFFAOYSA-N

InChI

InChI=1S/C14H12O3/c15-14(16)10-17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)

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

Names and synonyms

1 names

(Biphenyl-4-yloxy)-acetic acid

Work with 2-(4-Phenylphenoxy)acetic 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

Phenoxyacetic acid122-59-879 % similar 2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-675 % similar 2-[4-(Phenylmethoxy)phenoxy]acetic acid38559-92-171 % similar (4-Hydroxyphenoxy)acetic acid1878-84-864 % similar 4-Chlorophenoxyacetic acid122-88-362 % similar 4-Methoxyphenoxyacetic acid1877-75-462 % similar 2-(4-Bromophenoxy)acetic acid1878-91-762 % similar 4-Iodophenoxyacetic acid1878-94-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzyl salicylate118-58-1 Oxybenzone131-57-7 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 2,4-Dihydroxyphenyl benzyl ketone3669-41-8

Elsewhere

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