4-Phenoxyphenylacetic acid

C₁₄H₁₂O₃CAS 6328-74-1228.25 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: 3.11Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed88.6% of notifiers
H315 Causes skin irritation11.4% of notifiers
H317 May cause an allergic skin reaction88.6% of notifiers
H318 Causes serious eye damage88.6% of notifiers
H319 Causes serious eye irritation11.4% of notifiers
H335 May cause respiratory irritation11.4% of notifiers
H400 Very toxic to aquatic life88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

6328-74-1

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(=O)O

InChIKey

VARVNFDGRLLTCI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Phenoxyphenylacetic 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-Phenoxyphenylacetic acid32852-81-674 % similar Phenylacetic acid103-82-269 % similar 4-Benzyloxyphenylacetic acid6547-53-169 % similar Felbinac5728-52-966 % similar 1,4-Benzenediacetic acid7325-46-464 % similar (4-Methoxyphenyl)acetic acid104-01-862 % similar 2-Phenoxyphenylacetic acid25563-02-461 % similar 2-[4-(Trifluoromethoxy)phenyl]acetic acid4315-07-558 % 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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