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

C10H13BrN2O3 — CID 104708593

IUPAC3-(2-bromo-4-methoxyphenoxy)propanehydrazide
SMILESCOc1ccc(OCCC(=O)NN)c(Br)c1
InChIInChI=1S/C10H13BrN2O3/c1-15-7-2-3-9(8(11)6-7)16-5-4-10(14)13-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyYKUCCLZQCNIZOE-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.22
Rot. Bonds5

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

3-(2-bromo-4-methoxyphenoxy)propanehydrazide (PubChem CID 104708593) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 3-(2-bromo-4-methoxyphenoxy)propanehydrazide.

Molecular Properties

Compound Name3-(2-bromo-4-methoxyphenoxy)propanehydrazide
PubChem CID104708593
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name3-(2-bromo-4-methoxyphenoxy)propanehydrazide
SMILESCOc1ccc(OCCC(=O)NN)c(Br)c1
InChIInChI=1S/C10H13BrN2O3/c1-15-7-2-3-9(8(11)6-7)16-5-4-10(14)13-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyYKUCCLZQCNIZOE-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
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)acetohydrazide
CID 3936634
4-(2-bromo-4-methoxyphenoxy)butan-2-one
CID 104708081
3-(2-bromophenoxy)propanehydrazide
CID 61059905
4-(2,4-dibromophenoxy)butanehydrazide
CID 63576618
3-(2-bromo-4-methoxyphenoxy)-N'-hydroxypropanimidamide
CID 104707785
2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
CID 104708667
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
CID 103229405
4-(5-methoxy-2-nitrophenoxy)butanehydrazide
CID 102703730
butyl 2-(2-bromo-4-methoxyphenoxy)acetate
CID 113443363
3-(4-propoxyphenoxy)propanehydrazide
CID 63576064
2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 104707500

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methoxyphenoxy)propanehydrazide?
The IUPAC name of 3-(2-bromo-4-methoxyphenoxy)propanehydrazide (CID 104708593) is 3-(2-bromo-4-methoxyphenoxy)propanehydrazide.
What is the SMILES notation for 3-(2-bromo-4-methoxyphenoxy)propanehydrazide?
The canonical SMILES for 3-(2-bromo-4-methoxyphenoxy)propanehydrazide is COc1ccc(OCCC(=O)NN)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-methoxyphenoxy)propanehydrazide?
The InChIKey is YKUCCLZQCNIZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-15-7-2-3-9(8(11)6-7)16-5-4-10(14)13-12/h2-3,6H,4-5,12H2,1H3,(H,13,14).
What are the key properties of 3-(2-bromo-4-methoxyphenoxy)propanehydrazide?
3-(2-bromo-4-methoxyphenoxy)propanehydrazide has a molecular weight of 289.13 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methoxyphenoxy)propanehydrazide is sourced from PubChem (CID 104708593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).