6-(2-bromo-6-methoxyphenoxy)hexanehydrazide

C13H19BrN2O3 — CID 83134301

IUPAC6-(2-bromo-6-methoxyphenoxy)hexanehydrazide
SMILESCOc1cccc(Br)c1OCCCCCC(=O)NN
InChIInChI=1S/C13H19BrN2O3/c1-18-11-7-5-6-10(14)13(11)19-9-4-2-3-8-12(17)16-15/h5-7H,2-4,8-9,15H2,1H3,(H,16,17)
InChIKeyUCELZZHMHSZOEY-UHFFFAOYSA-N
MW331.21 g/mol
LogP2.39
Rot. Bonds8

About 6-(2-bromo-6-methoxyphenoxy)hexanehydrazide

6-(2-bromo-6-methoxyphenoxy)hexanehydrazide (PubChem CID 83134301) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 6-(2-bromo-6-methoxyphenoxy)hexanehydrazide.

Molecular Properties

Compound Name6-(2-bromo-6-methoxyphenoxy)hexanehydrazide
PubChem CID83134301
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name6-(2-bromo-6-methoxyphenoxy)hexanehydrazide
SMILESCOc1cccc(Br)c1OCCCCCC(=O)NN
InChIInChI=1S/C13H19BrN2O3/c1-18-11-7-5-6-10(14)13(11)19-9-4-2-3-8-12(17)16-15/h5-7H,2-4,8-9,15H2,1H3,(H,16,17)
InChIKeyUCELZZHMHSZOEY-UHFFFAOYSA-N
XLogP2.39
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 52.39
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

4-(2-bromo-6-methoxyphenoxy)butanehydrazide
CID 83135162
6-(2-bromo-6-methoxyphenoxy)hexan-2-one
CID 83140482
6-(2-bromo-6-methoxyphenoxy)hexan-3-one
CID 106802157
5-(2-bromo-6-methoxyphenoxy)pentane-1-thiol
CID 83134542
4-(2-methoxyphenoxy)butanehydrazide
CID 63576005
4-(2-bromo-6-methoxyphenoxy)-1-phenylbutan-1-one
CID 83136474
6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide
CID 83137072
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
3-(2-bromophenoxy)propanehydrazide
CID 61059905
3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide
CID 83137082
5-(2-ethylphenoxy)pentanehydrazide
CID 63569442
3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
CID 83140817

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-6-methoxyphenoxy)hexanehydrazide?
The IUPAC name of 6-(2-bromo-6-methoxyphenoxy)hexanehydrazide (CID 83134301) is 6-(2-bromo-6-methoxyphenoxy)hexanehydrazide.
What is the SMILES notation for 6-(2-bromo-6-methoxyphenoxy)hexanehydrazide?
The canonical SMILES for 6-(2-bromo-6-methoxyphenoxy)hexanehydrazide is COc1cccc(Br)c1OCCCCCC(=O)NN.
What is the InChIKey of 6-(2-bromo-6-methoxyphenoxy)hexanehydrazide?
The InChIKey is UCELZZHMHSZOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-18-11-7-5-6-10(14)13(11)19-9-4-2-3-8-12(17)16-15/h5-7H,2-4,8-9,15H2,1H3,(H,16,17).
What are the key properties of 6-(2-bromo-6-methoxyphenoxy)hexanehydrazide?
6-(2-bromo-6-methoxyphenoxy)hexanehydrazide has a molecular weight of 331.21 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-6-methoxyphenoxy)hexanehydrazide is sourced from PubChem (CID 83134301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).