4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid

C16H16N2O3 — CID 2789686

IUPAC4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCCOc1ccccc1C=NNc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H16N2O3/c1-2-21-15-6-4-3-5-13(15)11-17-18-14-9-7-12(8-10-14)16(19)20/h3-11,18H,2H2,1H3,(H,19,20)
InChIKeyRFYBXGBKEPYAQI-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.23
Rot. Bonds6

About 4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid

4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 2789686) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID2789686
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCCOc1ccccc1C=NNc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H16N2O3/c1-2-21-15-6-4-3-5-13(15)11-17-18-14-9-7-12(8-10-14)16(19)20/h3-11,18H,2H2,1H3,(H,19,20)
InChIKeyRFYBXGBKEPYAQI-UHFFFAOYSA-N
XLogP3.23
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.23
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

4-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7992359
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
2-[2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 169382456
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 45426859
4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid
CID 8971364
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline
CID 78597618
4-[2-[(3-bromo-4,5-diethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841167

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid (CID 2789686) is 4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid is CCOc1ccccc1C=NNc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is RFYBXGBKEPYAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-21-15-6-4-3-5-13(15)11-17-18-14-9-7-12(8-10-14)16(19)20/h3-11,18H,2H2,1H3,(H,19,20).
What are the key properties of 4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid?
4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 2789686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).