4-Phenoxyphenylacetonitrile

C₁₄H₁₁NOCAS 92163-15-0209.25 g/mol

Open in Covalent MOL file

Ether Nitrile

Properties

Molecular formula: C₁₄H₁₁NO
Molar mass: 209.25 g/mol
Exact mass: 209.0841 Da
logP: 3.54Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin90.9% of notifiers
H315 Causes skin irritation90.9% of notifiers
H319 Causes serious eye irritation90.9% of notifiers
H332 Harmful if inhaled90.9% of notifiers
H335 May cause respiratory irritation90.9% 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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

92163-15-0

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CC#N

InChIKey

PCOVIPKFOQOPEH-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NO/c15-11-10-12-6-8-14(9-7-12)16-13-4-2-1-3-5-13/h1-9H,10H2

Weigh it out

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

Work with 4-Phenoxyphenylacetonitrile

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

4-Benzyloxyphenylacetonitrile838-96-065 % similar Benzyl cyanide140-29-464 % similar 1,4-Benzenediacetonitrile622-75-363 % similar 4-Benzylphenylacetonitrile101096-72-461 % similar 4-Biphenylacetonitrile31603-77-761 % similar (4-Methoxyphenyl)acetonitrile104-47-260 % similar 2-(4-Ethoxyphenyl)acetonitrile6775-77-556 % similar 4-(Difluoromethoxy)phenylacetonitrile41429-16-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

DE(5-carboxamide)oxcarbazepine21737-58-6 2-Phenoxyphenylacetonitrile25562-98-5 1,3-Dihydro-1-phenyl-2H-indol-2-one3335-98-6 (3-Phenoxyphenyl)acetonitrile51632-29-2 4-Benzyloxybenzonitrile52805-36-4 2-Methyl-5-phenylbenzoxazole61931-68-8 N-Methylacridone719-54-0

Elsewhere

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