2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile

C16H15N3O2 — CID 6054346

IUPAC2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
SMILESCOc1cc(/C=N\Nc2ccccc2)ccc1OCC#N
InChIInChI=1S/C16H15N3O2/c1-20-16-11-13(7-8-15(16)21-10-9-17)12-18-19-14-5-3-2-4-6-14/h2-8,11-12,19H,10H2,1H3/b18-12-
InChIKeyACYZCDAIBWNFCM-PDGQHHTCSA-N
MW281.32 g/mol
LogP3.04
Rot. Bonds6

About 2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile

2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile (PubChem CID 6054346) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
PubChem CID6054346
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
SMILESCOc1cc(/C=N\Nc2ccccc2)ccc1OCC#N
InChIInChI=1S/C16H15N3O2/c1-20-16-11-13(7-8-15(16)21-10-9-17)12-18-19-14-5-3-2-4-6-14/h2-8,11-12,19H,10H2,1H3/b18-12-
InChIKeyACYZCDAIBWNFCM-PDGQHHTCSA-N
XLogP3.04
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.04
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

2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
CID 9076523
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
4-[2-methoxy-5-[(phenylhydrazinylidene)methyl]phenoxy]butanenitrile
CID 169383000
2-[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
CID 9013827
4-[(2Z)-2-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 7369465
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340184
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
CID 169383589
2-[4-bromo-2-[(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 169382164
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 55352186

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile (CID 6054346) is 2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile is COc1cc(/C=N\Nc2ccccc2)ccc1OCC#N.
What is the InChIKey of 2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile?
The InChIKey is ACYZCDAIBWNFCM-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-16-11-13(7-8-15(16)21-10-9-17)12-18-19-14-5-3-2-4-6-14/h2-8,11-12,19H,10H2,1H3/b18-12-.
What are the key properties of 2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile?
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile has a molecular weight of 281.32 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile is sourced from PubChem (CID 6054346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).