5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide

C13H14N2O3 — CID 63576172

IUPAC5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide
SMILESCc1cccc(OCc2cc(C(=O)NN)co2)c1
InChIInChI=1S/C13H14N2O3/c1-9-3-2-4-11(5-9)18-8-12-6-10(7-17-12)13(16)15-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeySKSVVZOYPPIIQH-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.77
Rot. Bonds4

About 5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide

5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide (PubChem CID 63576172) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide
PubChem CID63576172
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide
SMILESCc1cccc(OCc2cc(C(=O)NN)co2)c1
InChIInChI=1S/C13H14N2O3/c1-9-3-2-4-11(5-9)18-8-12-6-10(7-17-12)13(16)15-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeySKSVVZOYPPIIQH-UHFFFAOYSA-N
XLogP1.77
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.77
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-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107171042
5-[(3-bromo-4-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 83234772
5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575027
5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide
CID 103568335
5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide
CID 63569817
5-[(3-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 55055645
5-(propan-2-yloxymethyl)furan-3-carbohydrazide
CID 63574391
5-(phenylmethoxymethyl)furan-3-carbohydrazide
CID 55213199
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide
CID 116804146
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide
CID 103290412
5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575773
5-(2-ethoxyethoxymethyl)furan-3-carbohydrazide
CID 63588537

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide (CID 63576172) is 5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide is Cc1cccc(OCc2cc(C(=O)NN)co2)c1.
What is the InChIKey of 5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is SKSVVZOYPPIIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-3-2-4-11(5-9)18-8-12-6-10(7-17-12)13(16)15-14/h2-7H,8,14H2,1H3,(H,15,16).
What are the key properties of 5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide?
5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 246.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63576172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).