hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate

C11H15BrN2O3 — CID 107726871

IUPAChydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate
SMILESCc1cc(OCCC(=O)ONN)cc(C)c1Br
InChIInChI=1S/C11H15BrN2O3/c1-7-5-9(6-8(2)11(7)12)16-4-3-10(15)17-14-13/h5-6,14H,3-4,13H2,1-2H3
InChIKeyHFUIHRNRLNTWHL-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.76
Rot. Bonds5

About hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate

hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate (PubChem CID 107726871) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate
PubChem CID107726871
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Namehydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate
SMILESCc1cc(OCCC(=O)ONN)cc(C)c1Br
InChIInChI=1S/C11H15BrN2O3/c1-7-5-9(6-8(2)11(7)12)16-4-3-10(15)17-14-13/h5-6,14H,3-4,13H2,1-2H3
InChIKeyHFUIHRNRLNTWHL-UHFFFAOYSA-N
XLogP1.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromo-3,5-dimethylphenoxy)propanamide
CID 107723524
3-(4-bromo-3,5-dimethylphenoxy)propanoic acid;ethane
CID 144562870
3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
CID 107723835
ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate
CID 156857056
hydrazinyl 3-[4-(2-methylbutan-2-yl)phenoxy]propanoate
CID 66336904
2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene
CID 107723472
hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate
CID 66337477
hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate
CID 66338016
3-(4-bromo-3,5-dimethylphenoxy)-N-methoxy-N-methylpropanamide;3-(4-bromo-3,5-dimethylphenoxy)propanoic acid
CID 158348793
hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate
CID 66337101
hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate
CID 114677081
3-(4-bromo-3,5-dimethylphenoxy)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one
CID 123166469

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate?
The IUPAC name of hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate (CID 107726871) is hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate.
What is the SMILES notation for hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate?
The canonical SMILES for hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate is Cc1cc(OCCC(=O)ONN)cc(C)c1Br.
What is the InChIKey of hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate?
The InChIKey is HFUIHRNRLNTWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-7-5-9(6-8(2)11(7)12)16-4-3-10(15)17-14-13/h5-6,14H,3-4,13H2,1-2H3.
What are the key properties of hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate?
hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate has a molecular weight of 303.16 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(4-bromo-3,5-dimethylphenoxy)propanoate is sourced from PubChem (CID 107726871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).