2-(3-bromophenoxy)-3-methoxypropanehydrazide

C10H13BrN2O3 — CID 103229217

IUPAC2-(3-bromophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1cccc(Br)c1)C(=O)NN
InChIInChI=1S/C10H13BrN2O3/c1-15-6-9(10(14)13-12)16-8-4-2-3-7(11)5-8/h2-5,9H,6,12H2,1H3,(H,13,14)
InChIKeyHJHIULBGIWIHHY-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.83
Rot. Bonds5

About 2-(3-bromophenoxy)-3-methoxypropanehydrazide

2-(3-bromophenoxy)-3-methoxypropanehydrazide (PubChem CID 103229217) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-3-methoxypropanehydrazide
PubChem CID103229217
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name2-(3-bromophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1cccc(Br)c1)C(=O)NN
InChIInChI=1S/C10H13BrN2O3/c1-15-6-9(10(14)13-12)16-8-4-2-3-7(11)5-8/h2-5,9H,6,12H2,1H3,(H,13,14)
InChIKeyHJHIULBGIWIHHY-UHFFFAOYSA-N
XLogP0.83
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.83
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-(3-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229222
2-(2-bromophenoxy)-3-methoxypropanehydrazide
CID 103229243
2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
CID 103229405
2-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide
CID 107171064
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
CID 103229408
2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide
CID 107718981
ethyl (2S)-2-(3-bromophenoxy)butanoate
CID 40628551
2-(3-propan-2-ylphenoxy)butanehydrazide
CID 55213791
2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228325
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
3-methoxy-2-(2-nitrophenoxy)propanehydrazide
CID 103229219

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-3-methoxypropanehydrazide?
The IUPAC name of 2-(3-bromophenoxy)-3-methoxypropanehydrazide (CID 103229217) is 2-(3-bromophenoxy)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(3-bromophenoxy)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(3-bromophenoxy)-3-methoxypropanehydrazide is COCC(Oc1cccc(Br)c1)C(=O)NN.
What is the InChIKey of 2-(3-bromophenoxy)-3-methoxypropanehydrazide?
The InChIKey is HJHIULBGIWIHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-15-6-9(10(14)13-12)16-8-4-2-3-7(11)5-8/h2-5,9H,6,12H2,1H3,(H,13,14).
What are the key properties of 2-(3-bromophenoxy)-3-methoxypropanehydrazide?
2-(3-bromophenoxy)-3-methoxypropanehydrazide has a molecular weight of 289.13 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-3-methoxypropanehydrazide is sourced from PubChem (CID 103229217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).