2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile

C16H12N4O2 — CID 169338491

IUPAC2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESCOc1ccc(Oc2ccccc2NN=C(C#N)C#N)cc1
InChIInChI=1S/C16H12N4O2/c1-21-13-6-8-14(9-7-13)22-16-5-3-2-4-15(16)20-19-12(10-17)11-18/h2-9,20H,1H3
InChIKeyLDSFTDKUHICQDE-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.30
Rot. Bonds5

About 2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile

2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169338491) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169338491
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESCOc1ccc(Oc2ccccc2NN=C(C#N)C#N)cc1
InChIInChI=1S/C16H12N4O2/c1-21-13-6-8-14(9-7-13)22-16-5-3-2-4-15(16)20-19-12(10-17)11-18/h2-9,20H,1H3
InChIKeyLDSFTDKUHICQDE-UHFFFAOYSA-N
XLogP3.30
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-methoxyphenoxy)anilino]methylidene]propanedinitrile
CID 168542179
2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338954
2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 139663745
2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341142
2-[[2-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338443
2-[[2-phenoxy-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169340503
2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169342011
2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337574
2-[(4-bromo-2-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341937
2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338906
2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile
CID 169342072

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile (CID 169338491) is 2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile is COc1ccc(Oc2ccccc2NN=C(C#N)C#N)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is LDSFTDKUHICQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-21-13-6-8-14(9-7-13)22-16-5-3-2-4-15(16)20-19-12(10-17)11-18/h2-9,20H,1H3.
What are the key properties of 2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 292.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169338491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).