2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide

C11H15FN2O3 — CID 107171064

IUPAC2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc(C)c(F)c1)C(=O)NN
InChIInChI=1S/C11H15FN2O3/c1-7-3-4-8(5-9(7)12)17-10(6-16-2)11(15)14-13/h3-5,10H,6,13H2,1-2H3,(H,14,15)
InChIKeyZVZHDZTYIGIULH-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.52
Rot. Bonds5

About 2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide

2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide (PubChem CID 107171064) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide
PubChem CID107171064
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc(C)c(F)c1)C(=O)NN
InChIInChI=1S/C11H15FN2O3/c1-7-3-4-8(5-9(7)12)17-10(6-16-2)11(15)14-13/h3-5,10H,6,13H2,1-2H3,(H,14,15)
InChIKeyZVZHDZTYIGIULH-UHFFFAOYSA-N
XLogP0.52
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.52
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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Related Compounds

2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide
CID 107718981
2-(3-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229222
3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
CID 103229408
2-(2,5-difluorophenoxy)-3-methoxypropanehydrazide
CID 103229333
2-(3-bromophenoxy)-3-methoxypropanehydrazide
CID 103229217
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
CID 107170775
2-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019
2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
CID 103229405
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide
CID 103229305
2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229297
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide?
The IUPAC name of 2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide (CID 107171064) is 2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide is COCC(Oc1ccc(C)c(F)c1)C(=O)NN.
What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide?
The InChIKey is ZVZHDZTYIGIULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-7-3-4-8(5-9(7)12)17-10(6-16-2)11(15)14-13/h3-5,10H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide?
2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide has a molecular weight of 242.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide is sourced from PubChem (CID 107171064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).