2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile

C20H16N2O — CID 89231476

IUPAC2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile
SMILESC=Cc1ccc(COc2ccc(C(C)=C(C#N)C#N)cc2)cc1
InChIInChI=1S/C20H16N2O/c1-3-16-4-6-17(7-5-16)14-23-20-10-8-18(9-11-20)15(2)19(12-21)13-22/h3-11H,1,14H2,2H3
InChIKeyVZWQYLVNIIOMOU-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.73
Rot. Bonds5

About 2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile

2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile (PubChem CID 89231476) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile
PubChem CID89231476
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile
SMILESC=Cc1ccc(COc2ccc(C(C)=C(C#N)C#N)cc2)cc1
InChIInChI=1S/C20H16N2O/c1-3-16-4-6-17(7-5-16)14-23-20-10-8-18(9-11-20)15(2)19(12-21)13-22/h3-11H,1,14H2,2H3
InChIKeyVZWQYLVNIIOMOU-UHFFFAOYSA-N
XLogP4.73
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene
CID 4686859
1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine
CID 145260573
[4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite
CID 132547089
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
CID 157286946
CID 157286946
(Z)-2-isocyano-3-(4-phenylmethoxyphenyl)but-2-enenitrile
CID 59447576
(E)-2-(4-chlorophenyl)-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 126361290
5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile
CID 175299155
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
3-[(4-ethenylphenyl)methoxy]benzoic acid
CID 168678013
1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene
CID 174702453

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile?
The IUPAC name of 2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile (CID 89231476) is 2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile.
What is the SMILES notation for 2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile?
The canonical SMILES for 2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile is C=Cc1ccc(COc2ccc(C(C)=C(C#N)C#N)cc2)cc1.
What is the InChIKey of 2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile?
The InChIKey is VZWQYLVNIIOMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-3-16-4-6-17(7-5-16)14-23-20-10-8-18(9-11-20)15(2)19(12-21)13-22/h3-11H,1,14H2,2H3.
What are the key properties of 2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile?
2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile has a molecular weight of 300.36 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile is sourced from PubChem (CID 89231476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).