2-[(Methoxy)(4-phenoxyphenyl)methylene]malononitrile

C17H12N2O2CAS 330792-69-3276.30 g/mol

Open in Covalent MOL file
ONNO
AlkeneEtherNitrile

Properties

Molecular formula
C17H12N2O2
Molar mass
276.30 g/mol
Exact mass
276.0899 Da
logP
3.88Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
330792-69-3
SMILES
COC(=C(C#N)C#N)c1ccc(Oc2ccccc2)cc1
InChIKey
IRVRZQLHMPWLLY-UHFFFAOYSA-N
InChI
InChI=1S/C17H12N2O2/c1-20-17(14(11-18)12-19)13-7-9-16(10-8-13)21-15-5-3-2-4-6-15/h2-10H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Propanedinitrile, 2-[methoxy(4-phenoxyphenyl)methylene]-
  • Propanedinitrile, [methoxy(4-phenoxyphenyl)methylene]-
  • 2-[Methoxy(4-phenoxyphenyl)methylene]propanedinitrile
  • 1,1-Dicyano-2-methoxy-2-(4-phenoxyphenyl)ethene
  • 2-[Methoxy-(4-phenoxyphenyl)methylidene]propanedinitrile
  • 2-((Methoxy)(4-phenoxyphenyl)methylene)malononitrile

Work with 2-[(Methoxy)(4-phenoxyphenyl)methylene]malononitrile

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′-Phenoxyacetophenone5031-78-744 % similar 4,4'-Diphenoxybenzophenone14984-21-543 % similar 4-Phenoxybenzophenone6317-73-342 % similar 1,4-Diphenoxybenzene3061-36-742 % similar 4-Phenoxybenzoic acid2215-77-241 % similar 4-Phenoxybenzonitrile3096-81-941 % similar Diphenyl ether101-84-839 % similar 4-Phenoxyphenylacetonitrile92163-15-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Meisoindigo97207-47-1

Elsewhere

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