2-(2-bromophenoxy)-3-methoxypropanehydrazide

C10H13BrN2O3 — CID 103229243

IUPAC2-(2-bromophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccccc1Br)C(=O)NN
InChIInChI=1S/C10H13BrN2O3/c1-15-6-9(10(14)13-12)16-8-5-3-2-4-7(8)11/h2-5,9H,6,12H2,1H3,(H,13,14)
InChIKeyLSSHALYEKUCOJM-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.83
Rot. Bonds5

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

2-(2-bromophenoxy)-3-methoxypropanehydrazide (PubChem CID 103229243) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-3-methoxypropanehydrazide
PubChem CID103229243
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name2-(2-bromophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccccc1Br)C(=O)NN
InChIInChI=1S/C10H13BrN2O3/c1-15-6-9(10(14)13-12)16-8-5-3-2-4-7(8)11/h2-5,9H,6,12H2,1H3,(H,13,14)
InChIKeyLSSHALYEKUCOJM-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-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
CID 103229405
3-methoxy-2-(2-nitrophenoxy)propanehydrazide
CID 103229219
2-(3-bromophenoxy)-3-methoxypropanehydrazide
CID 103229217
2-(2,5-difluorophenoxy)-3-methoxypropanehydrazide
CID 103229333
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
2-(3-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229222
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methoxypropanehydrazide
CID 107744970
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
2-(2-bromophenoxy)butanoic acid
CID 18786119
3-methoxy-2-(2-methylphenoxy)-N-propan-2-ylpropanamide
CID 170233357
3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide
CID 103229305
3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
CID 103229408

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-3-methoxypropanehydrazide?
The IUPAC name of 2-(2-bromophenoxy)-3-methoxypropanehydrazide (CID 103229243) is 2-(2-bromophenoxy)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(2-bromophenoxy)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(2-bromophenoxy)-3-methoxypropanehydrazide is COCC(Oc1ccccc1Br)C(=O)NN.
What is the InChIKey of 2-(2-bromophenoxy)-3-methoxypropanehydrazide?
The InChIKey is LSSHALYEKUCOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-15-6-9(10(14)13-12)16-8-5-3-2-4-7(8)11/h2-5,9H,6,12H2,1H3,(H,13,14).
What are the key properties of 2-(2-bromophenoxy)-3-methoxypropanehydrazide?
2-(2-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-(2-bromophenoxy)-3-methoxypropanehydrazide is sourced from PubChem (CID 103229243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).