2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate

C15H13N2O4- — CID 135692416

IUPAC2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate
SMILESCOc1ccc([O-])c(/C=N/Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H14N2O4/c1-21-13-6-7-14(18)11(8-13)9-16-17-12-4-2-10(3-5-12)15(19)20/h2-9,17-18H,1H3,(H,19,20)/p-1/b16-9+
InChIKeyZJPSTBBEHKKXHG-CXUHLZMHSA-M
MW285.28 g/mol
LogP1.91
Rot. Bonds5

About 2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate

2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate (PubChem CID 135692416) has the molecular formula C15H13N2O4- and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate.

Molecular Properties

Compound Name2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate
PubChem CID135692416
Molecular FormulaC15H13N2O4-
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate
SMILESCOc1ccc([O-])c(/C=N/Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H14N2O4/c1-21-13-6-7-14(18)11(8-13)9-16-17-12-4-2-10(3-5-12)15(19)20/h2-9,17-18H,1H3,(H,19,20)/p-1/b16-9+
InChIKeyZJPSTBBEHKKXHG-CXUHLZMHSA-M
XLogP1.91
TPSA93.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
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-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841501
4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid
CID 8971364
2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol
CID 135606976
4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7824518
4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate
CID 135692398
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789144
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347
4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841207
4-[4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-3-(2-oxochromen-3-yl)pyrazol-1-yl]benzoic acid
CID 155815743
4-[2-[[4-(2-methylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841204
4-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 84901065

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate?
The IUPAC name of 2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate (CID 135692416) is 2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate.
What is the SMILES notation for 2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate?
The canonical SMILES for 2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate is COc1ccc([O-])c(/C=N/Nc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate?
The InChIKey is ZJPSTBBEHKKXHG-CXUHLZMHSA-M. The full InChI is InChI=1S/C15H14N2O4/c1-21-13-6-7-14(18)11(8-13)9-16-17-12-4-2-10(3-5-12)15(19)20/h2-9,17-18H,1H3,(H,19,20)/p-1/b16-9+.
What are the key properties of 2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate?
2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate has a molecular weight of 285.28 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-4-methoxyphenolate is sourced from PubChem (CID 135692416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).