2,5-Dimethoxyphenylacetonitrile

C10H11NO2CAS 18086-24-3177.20 g/mol

Open in Covalent MOL file
OON
EtherNitrile

Properties

Molecular formula
C10H11NO2
Molar mass
177.20 g/mol
Exact mass
177.0790 Da
logP
1.77Crippen estimate
Polar surface area
42.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
18086-24-3
SMILES
COC1=CC(=C(C=C1)OC)CC#N
InChIKey
DBKDGRJAFWDOOJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5H2,1-2H3

Weigh it out

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Work with 2,5-Dimethoxyphenylacetonitrile

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-Methoxybenzeneacetonitrile7035-03-264 % similar (7-Methoxynaphthalen-1-yl)acetonitrile138113-08-357 % similar 2-(5-Methoxy-1H-indol-3-yl)acetonitrile2436-17-157 % similar 2,5-Dimethoxybenzenemethanamine3275-95-457 % similar 2,5-Dimethoxybenzyl alcohol33524-31-157 % similar 2,5-Dimethoxybenzyl chloride3840-27-557 % similar 6-Methoxy-1H-indole-3-acetonitrile23084-35-756 % similar (4-Methoxyphenyl)acetonitrile104-47-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetoacetanilide102-01-2 (R)-4-Benzyl-2-oxazolidinone102029-44-7 (3R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid103733-65-9 3,5-Dimethoxyphenylacetonitrile13388-75-5 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one139122-19-3 5,6-Dimethoxyindole14430-23-0 (4S,5R)-(-)-4-Methyl-5-phenyl-2-oxazolidinone16251-45-9 7-Methoxy-3,4-dihydro-2H-isoquinolin-1-one22246-04-4

Elsewhere

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