4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid

C16H12N2O4 — CID 156635002

IUPAC4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccc(C=NN=Cc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H12N2O4/c19-15(20)13-5-1-11(2-6-13)9-17-18-10-12-3-7-14(8-4-12)16(21)22/h1-10H,(H,19,20)(H,21,22)
InChIKeyNADSSUCTWRGNBI-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.54
Rot. Bonds5

About 4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid

4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid (PubChem CID 156635002) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
PubChem CID156635002
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccc(C=NN=Cc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H12N2O4/c19-15(20)13-5-1-11(2-6-13)9-17-18-10-12-3-7-14(8-4-12)16(21)22/h1-10H,(H,19,20)(H,21,22)
InChIKeyNADSSUCTWRGNBI-UHFFFAOYSA-N
XLogP2.54
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.54
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid (CID 156635002) is 4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid is O=C(O)c1ccc(C=NN=Cc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid?
The InChIKey is NADSSUCTWRGNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-15(20)13-5-1-11(2-6-13)9-17-18-10-12-3-7-14(8-4-12)16(21)22/h1-10H,(H,19,20)(H,21,22).
What are the key properties of 4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid?
4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid has a molecular weight of 296.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 156635002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).