4-(2-bromo-6-methoxyphenoxy)butanehydrazide

C11H15BrN2O3 — CID 83135162

IUPAC4-(2-bromo-6-methoxyphenoxy)butanehydrazide
SMILESCOc1cccc(Br)c1OCCCC(=O)NN
InChIInChI=1S/C11H15BrN2O3/c1-16-9-5-2-4-8(12)11(9)17-7-3-6-10(15)14-13/h2,4-5H,3,6-7,13H2,1H3,(H,14,15)
InChIKeyMOIGSFLQPNKMGN-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.61
Rot. Bonds6

About 4-(2-bromo-6-methoxyphenoxy)butanehydrazide

4-(2-bromo-6-methoxyphenoxy)butanehydrazide (PubChem CID 83135162) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 4-(2-bromo-6-methoxyphenoxy)butanehydrazide.

Molecular Properties

Compound Name4-(2-bromo-6-methoxyphenoxy)butanehydrazide
PubChem CID83135162
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name4-(2-bromo-6-methoxyphenoxy)butanehydrazide
SMILESCOc1cccc(Br)c1OCCCC(=O)NN
InChIInChI=1S/C11H15BrN2O3/c1-16-9-5-2-4-8(12)11(9)17-7-3-6-10(15)14-13/h2,4-5H,3,6-7,13H2,1H3,(H,14,15)
InChIKeyMOIGSFLQPNKMGN-UHFFFAOYSA-N
XLogP1.61
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-bromo-6-methoxyphenoxy)hexanehydrazide
CID 83134301
6-(2-bromo-6-methoxyphenoxy)hexan-3-one
CID 106802157
4-(2-methoxyphenoxy)butanehydrazide
CID 63576005
6-(2-bromo-6-methoxyphenoxy)hexan-2-one
CID 83140482
4-(2-bromo-6-methoxyphenoxy)-1-phenylbutan-1-one
CID 83136474
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
4-(2,6-difluorophenoxy)butanehydrazide
CID 81268570
3-(2-bromophenoxy)propanehydrazide
CID 61059905
3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide
CID 83137082
3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
CID 83140817
5-(2,6-dimethoxyphenoxy)pentan-2-one
CID 43793515
6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide
CID 83137072

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-6-methoxyphenoxy)butanehydrazide?
The IUPAC name of 4-(2-bromo-6-methoxyphenoxy)butanehydrazide (CID 83135162) is 4-(2-bromo-6-methoxyphenoxy)butanehydrazide.
What is the SMILES notation for 4-(2-bromo-6-methoxyphenoxy)butanehydrazide?
The canonical SMILES for 4-(2-bromo-6-methoxyphenoxy)butanehydrazide is COc1cccc(Br)c1OCCCC(=O)NN.
What is the InChIKey of 4-(2-bromo-6-methoxyphenoxy)butanehydrazide?
The InChIKey is MOIGSFLQPNKMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-16-9-5-2-4-8(12)11(9)17-7-3-6-10(15)14-13/h2,4-5H,3,6-7,13H2,1H3,(H,14,15).
What are the key properties of 4-(2-bromo-6-methoxyphenoxy)butanehydrazide?
4-(2-bromo-6-methoxyphenoxy)butanehydrazide has a molecular weight of 303.16 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-6-methoxyphenoxy)butanehydrazide is sourced from PubChem (CID 83135162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).