4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile

C23H21N3O2 — CID 17245951

IUPAC4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
SMILESCOc1ccccc1CN/N=C/c1cccc(OCc2ccc(C#N)cc2)c1
InChIInChI=1S/C23H21N3O2/c1-27-23-8-3-2-6-21(23)16-26-25-15-20-5-4-7-22(13-20)28-17-19-11-9-18(14-24)10-12-19/h2-13,15,26H,16-17H2,1H3/b25-15+
InChIKeyXKOHHTORJPWRPY-MFKUBSTISA-N
MW371.44 g/mol
LogP4.27
Rot. Bonds8

About 4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile

4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile (PubChem CID 17245951) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
PubChem CID17245951
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
SMILESCOc1ccccc1CN/N=C/c1cccc(OCc2ccc(C#N)cc2)c1
InChIInChI=1S/C23H21N3O2/c1-27-23-8-3-2-6-21(23)16-26-25-15-20-5-4-7-22(13-20)28-17-19-11-9-18(14-24)10-12-19/h2-13,15,26H,16-17H2,1H3/b25-15+
InChIKeyXKOHHTORJPWRPY-MFKUBSTISA-N
XLogP4.27
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-methoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 17245967
1-(2-methoxyphenyl)-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]methanamine
CID 29147895
4-[[2-chloro-6-ethoxy-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 29148378
4-[[2-bromo-6-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 17246043
4-[[2-bromo-6-ethoxy-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 29148432
2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
CID 29148193
4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 92658404
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147718
N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245736
N-[(E)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245635
N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17246005
2-[[2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 29147479

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile?
The IUPAC name of 4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile (CID 17245951) is 4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile?
The canonical SMILES for 4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile is COc1ccccc1CN/N=C/c1cccc(OCc2ccc(C#N)cc2)c1.
What is the InChIKey of 4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile?
The InChIKey is XKOHHTORJPWRPY-MFKUBSTISA-N. The full InChI is InChI=1S/C23H21N3O2/c1-27-23-8-3-2-6-21(23)16-26-25-15-20-5-4-7-22(13-20)28-17-19-11-9-18(14-24)10-12-19/h2-13,15,26H,16-17H2,1H3/b25-15+.
What are the key properties of 4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile?
4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile has a molecular weight of 371.44 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile is sourced from PubChem (CID 17245951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).