2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide

C11H15BrN2O4 — CID 103229405

IUPAC2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc(OC)cc1Br)C(=O)NN
InChIInChI=1S/C11H15BrN2O4/c1-16-6-10(11(15)14-13)18-9-4-3-7(17-2)5-8(9)12/h3-5,10H,6,13H2,1-2H3,(H,14,15)
InChIKeyYRJVQZOBYSDGGR-UHFFFAOYSA-N
MW319.16 g/mol
LogP0.84
Rot. Bonds6

About 2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide

2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide (PubChem CID 103229405) has the molecular formula C11H15BrN2O4 and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
PubChem CID103229405
Molecular FormulaC11H15BrN2O4
Molecular Weight319.16 g/mol
Exact Mass318.02
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc(OC)cc1Br)C(=O)NN
InChIInChI=1S/C11H15BrN2O4/c1-16-6-10(11(15)14-13)18-9-4-3-7(17-2)5-8(9)12/h3-5,10H,6,13H2,1-2H3,(H,14,15)
InChIKeyYRJVQZOBYSDGGR-UHFFFAOYSA-N
XLogP0.84
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-bromophenoxy)-3-methoxypropanehydrazide
CID 103229243
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide
CID 107744970
2-(3-bromophenoxy)-3-methoxypropanehydrazide
CID 103229217
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide
CID 107171064
2-(2-bromo-4-chlorophenoxy)butanehydrazide
CID 54792634
3-(2-bromo-4-methoxyphenoxy)propanehydrazide
CID 104708593
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
2-(3-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229222
3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
CID 103229408
2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide
CID 107718981

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide (CID 103229405) is 2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide is COCC(Oc1ccc(OC)cc1Br)C(=O)NN.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide?
The InChIKey is YRJVQZOBYSDGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4/c1-16-6-10(11(15)14-13)18-9-4-3-7(17-2)5-8(9)12/h3-5,10H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide?
2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide has a molecular weight of 319.16 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide is sourced from PubChem (CID 103229405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).