5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide

C12H9Cl3N2O3 — CID 63575773

IUPAC5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C12H9Cl3N2O3/c13-7-2-9(14)11(10(15)3-7)20-5-8-1-6(4-19-8)12(18)17-16/h1-4H,5,16H2,(H,17,18)
InChIKeyGSJDXSFFHPDHBM-UHFFFAOYSA-N
MW335.57 g/mol
LogP3.42
Rot. Bonds4

About 5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide

5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide (PubChem CID 63575773) has the molecular formula C12H9Cl3N2O3 and a molecular weight of 335.57 g/mol. Its IUPAC name is 5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
PubChem CID63575773
Molecular FormulaC12H9Cl3N2O3
Molecular Weight335.57 g/mol
Exact Mass333.97
IUPAC Name5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C12H9Cl3N2O3/c13-7-2-9(14)11(10(15)3-7)20-5-8-1-6(4-19-8)12(18)17-16/h1-4H,5,16H2,(H,17,18)
InChIKeyGSJDXSFFHPDHBM-UHFFFAOYSA-N
XLogP3.42
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.57
LogP ≤ 53.42
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

5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide
CID 103290412
5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575027
5-[(2-chloro-6-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 107719018
5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide
CID 103428139
5-[(5-chloro-2-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63569482
5-(propan-2-yloxymethyl)furan-3-carbohydrazide
CID 63574391
3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682789
5-[(3-bromo-4-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 83234772
5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide
CID 63576172
5-[(2-bromo-6-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 81496877
5-(2-ethoxyethoxymethyl)furan-3-carbohydrazide
CID 63588537
5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 55055887

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide (CID 63575773) is 5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide is NNC(=O)c1coc(COc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is GSJDXSFFHPDHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O3/c13-7-2-9(14)11(10(15)3-7)20-5-8-1-6(4-19-8)12(18)17-16/h1-4H,5,16H2,(H,17,18).
What are the key properties of 5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide?
5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 335.57 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63575773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).