2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid

C17H16N2O4 — CID 6908212

IUPAC2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)Cc1ccccc1
InChIInChI=1S/C17H16N2O4/c20-16(10-13-6-2-1-3-7-13)19-18-11-14-8-4-5-9-15(14)23-12-17(21)22/h1-9,11H,10,12H2,(H,19,20)(H,21,22)/b18-11+
InChIKeyOKLQDWMQYRWFIC-WOJGMQOQSA-N
MW312.33 g/mol
LogP1.84
Rot. Bonds7

About 2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 6908212) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID6908212
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)Cc1ccccc1
InChIInChI=1S/C17H16N2O4/c20-16(10-13-6-2-1-3-7-13)19-18-11-14-8-4-5-9-15(14)23-12-17(21)22/h1-9,11H,10,12H2,(H,19,20)(H,21,22)/b18-11+
InChIKeyOKLQDWMQYRWFIC-WOJGMQOQSA-N
XLogP1.84
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.84
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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Related Compounds

{2-[(Z)-{2-[(4-fluorophenyl)carbonyl]hydrazinylidene}methyl]phenoxy}acetic acid
CID 6904640
Phenyl-acetic acid (2-allyloxy-benzylidene)-hydrazide
CID 9593809
2-{4-[(2-Naphthalen-1-yl-acetyl)-hydrazonomethyl]-phenoxy}-propionic acid
CID 9678253
{4-[(E)-{2-[hydroxy(diphenyl)acetyl]hydrazinylidene}methyl]phenoxy}acetic acid
CID 5344603
N'-[4-methoxy-3-(methoxymethyl)benzylidene]-2-(4-methoxyphenyl)acetohydrazide
CID 5412031
2-(2-allylphenoxy)-N'-(2-ethoxybenzylidene)acetohydrazide
CID 6876587
4-(4-methoxyphenyl)-N'-[(E)-(2-methoxyphenyl)methylidene]butanehydrazide
CID 9596425
Hydroxy-phenyl-acetic acid (4-ethoxy-2-hydroxy-benzylidene)-hydrazide
CID 135537517
(4-Propoxy-phenyl)-acetic acid (4-fluoro-benzylidene)-hydrazide
CID 6083617
2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6882268
2-[4-[(E)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6905683
p-Tolyl-acetic acid (2-allyloxy-benzylidene)-hydrazide
CID 9590774

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 6908212) is 2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1/C=N/NC(=O)Cc1ccccc1.
What is the InChIKey of 2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is OKLQDWMQYRWFIC-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-16(10-13-6-2-1-3-7-13)19-18-11-14-8-4-5-9-15(14)23-12-17(21)22/h1-9,11H,10,12H2,(H,19,20)(H,21,22)/b18-11+.
What are the key properties of 2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 312.33 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 6908212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).