4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid

C15H11F3N2O4 — CID 135433589

IUPAC4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccc(O)c(/C=N/Nc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O4/c16-15(17,18)24-13-4-2-1-3-11(13)20-19-8-10-7-9(14(22)23)5-6-12(10)21/h1-8,20-21H,(H,22,23)/b19-8+
InChIKeyFKIZPYOIVNZWHX-UFWORHAWSA-N
MW340.26 g/mol
LogP3.43
Rot. Bonds5

About 4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid

4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 135433589) has the molecular formula C15H11F3N2O4 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid
PubChem CID135433589
Molecular FormulaC15H11F3N2O4
Molecular Weight340.26 g/mol
Exact Mass340.07
IUPAC Name4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccc(O)c(/C=N/Nc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O4/c16-15(17,18)24-13-4-2-1-3-11(13)20-19-8-10-7-9(14(22)23)5-6-12(10)21/h1-8,20-21H,(H,22,23)/b19-8+
InChIKeyFKIZPYOIVNZWHX-UFWORHAWSA-N
XLogP3.43
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
CID 135406957
3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
CID 135433508
4-[2-(trifluoromethoxy)anilino]benzoic acid
CID 62232189
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347
3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid
CID 59021950
2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide
CID 135959938
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide
CID 135579258

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid (CID 135433589) is 4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid is O=C(O)c1ccc(O)c(/C=N/Nc2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is FKIZPYOIVNZWHX-UFWORHAWSA-N. The full InChI is InChI=1S/C15H11F3N2O4/c16-15(17,18)24-13-4-2-1-3-11(13)20-19-8-10-7-9(14(22)23)5-6-12(10)21/h1-8,20-21H,(H,22,23)/b19-8+.
What are the key properties of 4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid?
4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 340.26 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 135433589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).