2-(4-phenoxyphenoxy)acetohydrazide

C14H14N2O3 — CID 873173

IUPAC2-(4-phenoxyphenoxy)acetohydrazide
SMILESNNC(=O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H14N2O3/c15-16-14(17)10-18-11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-9H,10,15H2,(H,16,17)
InChIKeyAINHUAQVIBXSFV-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.85
Rot. Bonds5

About 2-(4-phenoxyphenoxy)acetohydrazide

2-(4-phenoxyphenoxy)acetohydrazide (PubChem CID 873173) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)acetohydrazide
PubChem CID873173
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(4-phenoxyphenoxy)acetohydrazide
SMILESNNC(=O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H14N2O3/c15-16-14(17)10-18-11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-9H,10,15H2,(H,16,17)
InChIKeyAINHUAQVIBXSFV-UHFFFAOYSA-N
XLogP1.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-(4-phenoxyphenoxy)acetohydrazide?
The IUPAC name of 2-(4-phenoxyphenoxy)acetohydrazide (CID 873173) is 2-(4-phenoxyphenoxy)acetohydrazide.
What is the SMILES notation for 2-(4-phenoxyphenoxy)acetohydrazide?
The canonical SMILES for 2-(4-phenoxyphenoxy)acetohydrazide is NNC(=O)COc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenoxy)acetohydrazide?
The InChIKey is AINHUAQVIBXSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-16-14(17)10-18-11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-9H,10,15H2,(H,16,17).
What are the key properties of 2-(4-phenoxyphenoxy)acetohydrazide?
2-(4-phenoxyphenoxy)acetohydrazide has a molecular weight of 258.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)acetohydrazide is sourced from PubChem (CID 873173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).