4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate

C17H17N2O4- — CID 7734089

IUPAC4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate
SMILESCOc1ccc(OC)c(/C(C)=N\Nc2ccc(C(=O)[O-])cc2)c1
InChIInChI=1S/C17H18N2O4/c1-11(15-10-14(22-2)8-9-16(15)23-3)18-19-13-6-4-12(5-7-13)17(20)21/h4-10,19H,1-3H3,(H,20,21)/p-1/b18-11-
InChIKeyKGFDFYFXZGMXLF-WQRHYEAKSA-M
MW313.33 g/mol
LogP1.90
Rot. Bonds6

About 4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate

4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate (PubChem CID 7734089) has the molecular formula C17H17N2O4- and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate
PubChem CID7734089
Molecular FormulaC17H17N2O4-
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate
SMILESCOc1ccc(OC)c(/C(C)=N\Nc2ccc(C(=O)[O-])cc2)c1
InChIInChI=1S/C17H18N2O4/c1-11(15-10-14(22-2)8-9-16(15)23-3)18-19-13-6-4-12(5-7-13)17(20)21/h4-10,19H,1-3H3,(H,20,21)/p-1/b18-11-
InChIKeyKGFDFYFXZGMXLF-WQRHYEAKSA-M
XLogP1.90
TPSA82.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
CID 7295893
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 8825826
4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate
CID 9012825
4-[(2Z)-2-[1-[3-[(diethylazaniumyl)methyl]-4-methoxyphenyl]ethylidene]hydrazinyl]benzoate
CID 9012973
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013734
4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 4005334
4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 9012884
4-methoxy-2-[(E)-C-methyl-N-[4-(4-methylphenyl)sulfonylanilino]carbonimidoyl]phenol
CID 135749534
4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 9012896
4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate
CID 8007668
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate (CID 7734089) is 4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate is COc1ccc(OC)c(/C(C)=N\Nc2ccc(C(=O)[O-])cc2)c1.
What is the InChIKey of 4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate?
The InChIKey is KGFDFYFXZGMXLF-WQRHYEAKSA-M. The full InChI is InChI=1S/C17H18N2O4/c1-11(15-10-14(22-2)8-9-16(15)23-3)18-19-13-6-4-12(5-7-13)17(20)21/h4-10,19H,1-3H3,(H,20,21)/p-1/b18-11-.
What are the key properties of 4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate has a molecular weight of 313.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7734089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).