3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide

C13H13BrN2O4 — CID 83135085

IUPAC3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide
SMILESCOc1cccc(Br)c1OCc1ccoc1C(=O)NN
InChIInChI=1S/C13H13BrN2O4/c1-18-10-4-2-3-9(14)12(10)20-7-8-5-6-19-11(8)13(17)16-15/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyNZDKOMHDXROELI-UHFFFAOYSA-N
MW341.16 g/mol
LogP2.23
Rot. Bonds5

About 3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide

3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide (PubChem CID 83135085) has the molecular formula C13H13BrN2O4 and a molecular weight of 341.16 g/mol. Its IUPAC name is 3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide
PubChem CID83135085
Molecular FormulaC13H13BrN2O4
Molecular Weight341.16 g/mol
Exact Mass340.01
IUPAC Name3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide
SMILESCOc1cccc(Br)c1OCc1ccoc1C(=O)NN
InChIInChI=1S/C13H13BrN2O4/c1-18-10-4-2-3-9(14)12(10)20-7-8-5-6-19-11(8)13(17)16-15/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyNZDKOMHDXROELI-UHFFFAOYSA-N
XLogP2.23
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide
CID 63576760
3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide
CID 83137082
6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide
CID 83137072
3-[(4-ethyl-2-methoxyphenoxy)methyl]furan-2-carbohydrazide
CID 107668802
3-[(3-methyl-2-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63570159
4-(2-bromo-6-methoxyphenoxy)butanehydrazide
CID 83135162
3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide
CID 65472904
2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid
CID 104637856
6-(2-bromo-6-methoxyphenoxy)hexanehydrazide
CID 83134301
3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide
CID 63576692
3-[(3-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 63577037
3-(propan-2-yloxymethyl)furan-2-carbohydrazide
CID 63576965

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide (CID 83135085) is 3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide is COc1cccc(Br)c1OCc1ccoc1C(=O)NN.
What is the InChIKey of 3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is NZDKOMHDXROELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4/c1-18-10-4-2-3-9(14)12(10)20-7-8-5-6-19-11(8)13(17)16-15/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of 3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide?
3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 341.16 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 83135085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).