2-(2-(4-Chlorophenoxy)phenyl)acetic acid

C₁₄H₁₁ClO₃CAS 25563-04-6262.69 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₁₄H₁₁ClO₃
Molar mass: 262.69 g/mol
Exact mass: 262.0397 Da
logP: 3.76Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

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

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

25563-04-6

SMILES

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

InChIKey

ALMJMOPIBISVHZ-UHFFFAOYSA-N

InChI

InChI=1S/C14H11ClO3/c15-11-5-7-12(8-6-11)18-13-4-2-1-3-10(13)9-14(16)17/h1-8H,9H2,(H,16,17)

Weigh it out

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Names and synonyms

1 names

2-(4-Chlorophenoxy)phenylacetic acid

Work with 2-(2-(4-Chlorophenoxy)phenyl)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

2-Phenoxyphenylacetic acid25563-02-476 % similar 2-Methoxyphenylacetic acid93-25-456 % similar 2-(Trifluoromethoxy)benzeneacetic acid220239-67-853 % similar 2-Ethoxyphenylacetic acid70289-12-253 % similar 1,2-Benzenediacetic acid7500-53-053 % similar (2-Chlorophenyl)acetic acid2444-36-253 % similar 2-(Benzyloxy)phenylacetic acid22047-88-752 % similar (4-Chlorophenyl)acetic acid1878-66-651 % similar

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

Elsewhere

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