COC(=C(C#N)C#N)C1=CC=C(C=C1)OC2=CC=CC=C2
CAS: 330792-69-3
Nombre: 2-[methoxy-(4-phenoxyphenyl)methylidene]propanedinitrile
SMILES: COC(=C(C#N)C#N)C1=CC=C(C=C1)OC2=CC=CC=C2

Molecular Processing

Molecular formula
C17H12N2O2
Molecular weight
276.3
Exact mass
276.0899
XLogP
3.88
TPSA
66.04
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
78.11

Supplementary Information

InChIKey: IRVRZQLHMPWLLY-UHFFFAOYSA-N
Sinónimos
330792-69-32-[(Methoxy)(4-phenoxyphenyl)methylene]malononitrile2-((Methoxy)(4-phenoxyphenyl)methylene)malononitrileRefChem:2495092-(Methoxy(4-phenoxyphenyl)methylene)malononitrilePropanedinitrile, 2-[methoxy(4-phenoxyphenyl)methylene]-Propanedinitrile, [methoxy(4-phenoxyphenyl)methylene]-MFCD201403152-[methoxy-(4-phenoxyphenyl)methylidene]propanedinitrile2-[methoxy(4-phenoxyphenyl)methylene]Propanedinitrile2-[Methoxy(4-phenoxyphenyl)methylene]malononitrile1,1-Dicyano-2-methoxy-2-(4-phenoxyphenyl)etheneZanubrutinib Related Compound 3Ibrutinib Impurity 162SCHEMBL200799orb3143739RS2X48F2U5IRVRZQLHMPWLLY-UHFFFAOYSA-NDTXSID901220892CS-M2595TYD-03077ZB1493AKOS028114379AC-29710DS-19435SY116157DB-269616dicyano-2-methoxy-2-(4-phenoxyphenyl)etheneH10906F053772
Ver fuente →
Participa en 125 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→