2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide

C13H14N2O3 — CID 90002256

IUPAC2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide
SMILESCc1cccc(-c2ccoc2)c1OCC(=O)NN
InChIInChI=1S/C13H14N2O3/c1-9-3-2-4-11(10-5-6-17-7-10)13(9)18-8-12(16)15-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyGPIUVKBYKLXINR-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.62
Rot. Bonds4

About 2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide

2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide (PubChem CID 90002256) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide
PubChem CID90002256
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide
SMILESCc1cccc(-c2ccoc2)c1OCC(=O)NN
InChIInChI=1S/C13H14N2O3/c1-9-3-2-4-11(10-5-6-17-7-10)13(9)18-8-12(16)15-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyGPIUVKBYKLXINR-UHFFFAOYSA-N
XLogP1.62
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.62
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-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide?
The IUPAC name of 2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide (CID 90002256) is 2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide.
What is the SMILES notation for 2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide?
The canonical SMILES for 2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide is Cc1cccc(-c2ccoc2)c1OCC(=O)NN.
What is the InChIKey of 2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide?
The InChIKey is GPIUVKBYKLXINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-3-2-4-11(10-5-6-17-7-10)13(9)18-8-12(16)15-14/h2-7H,8,14H2,1H3,(H,15,16).
What are the key properties of 2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide?
2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide has a molecular weight of 246.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-yl)-6-methylphenoxy]acetohydrazide is sourced from PubChem (CID 90002256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).