chempirical

2-Phenoxyphenylacetonitrile

C14H11NOCAS 25562-98-5209.25 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
25562-98-5
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2CC#N
InChIKey
PCMQCXFXODBYGN-UHFFFAOYSA-N
InChI
InChI=1S/C14H11NO/c15-11-10-12-6-4-5-9-14(12)16-13-7-2-1-3-8-13/h1-9H,10H2

Weigh it out

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

Work with 2-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

2-Methoxybenzeneacetonitrile7035-03-259 % similar o-Phenylenediacetonitrile613-23-056 % similar 1,2-Benzenediacetonitrile613-73-056 % similar 2-Triflnoromethoxybenzyl cyanide137218-25-854 % similar 2-(Difluoromethoxy)phenylacetonitrile41429-22-554 % similar 2-Biphenylacetonitrile19853-10-248 % similar 2-Phenoxyphenylacetic acid25563-02-447 % similar (2-Bromophenyl)acetonitrile19472-74-347 % similar

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

Same formula

DE(5-carboxamide)oxcarbazepine21737-58-6 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 4-Phenoxyphenylacetonitrile92163-15-0

Elsewhere

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