4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate

C16H15N2O3- — CID 135692398

IUPAC4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate
SMILESCc1cc(/C=N/Nc2ccc(C(=O)O)cc2)cc(C)c1[O-]
InChIInChI=1S/C16H16N2O3/c1-10-7-12(8-11(2)15(10)19)9-17-18-14-5-3-13(4-6-14)16(20)21/h3-9,18-19H,1-2H3,(H,20,21)/p-1/b17-9+
InChIKeyFJGYFZJSKREZEB-RQZCQDPDSA-M
MW283.31 g/mol
LogP2.52
Rot. Bonds4

About 4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate

4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate (PubChem CID 135692398) has the molecular formula C16H15N2O3- and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate.

Molecular Properties

Compound Name4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate
PubChem CID135692398
Molecular FormulaC16H15N2O3-
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate
SMILESCc1cc(/C=N/Nc2ccc(C(=O)O)cc2)cc(C)c1[O-]
InChIInChI=1S/C16H16N2O3/c1-10-7-12(8-11(2)15(10)19)9-17-18-14-5-3-13(4-6-14)16(20)21/h3-9,18-19H,1-2H3,(H,20,21)/p-1/b17-9+
InChIKeyFJGYFZJSKREZEB-RQZCQDPDSA-M
XLogP2.52
TPSA84.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 59021908
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841207
4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid
CID 9013174
4-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 84901065
4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841204
4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 9014672
2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate
CID 135692416
4-[2-[(4-propan-2-ylsulfanylphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841197
4-[2-[(3-bromo-4,5-diethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841167
4-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 5042839
4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 74856803

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate?
The IUPAC name of 4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate (CID 135692398) is 4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate.
What is the SMILES notation for 4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate?
The canonical SMILES for 4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate is Cc1cc(/C=N/Nc2ccc(C(=O)O)cc2)cc(C)c1[O-].
What is the InChIKey of 4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate?
The InChIKey is FJGYFZJSKREZEB-RQZCQDPDSA-M. The full InChI is InChI=1S/C16H16N2O3/c1-10-7-12(8-11(2)15(10)19)9-17-18-14-5-3-13(4-6-14)16(20)21/h3-9,18-19H,1-2H3,(H,20,21)/p-1/b17-9+.
What are the key properties of 4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate?
4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate has a molecular weight of 283.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate is sourced from PubChem (CID 135692398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).