5-(phenoxymethyl)furan-2-carbohydrazide

C12H12N2O3 — CID 2125524

IUPAC5-(phenoxymethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C12H12N2O3/c13-14-12(15)11-7-6-10(17-11)8-16-9-4-2-1-3-5-9/h1-7H,8,13H2,(H,14,15)
InChIKeyDWKKGVSUBJSFCU-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.46
Rot. Bonds4

About 5-(phenoxymethyl)furan-2-carbohydrazide

5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 2125524) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID2125524
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-(phenoxymethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C12H12N2O3/c13-14-12(15)11-7-6-10(17-11)8-16-9-4-2-1-3-5-9/h1-7H,8,13H2,(H,14,15)
InChIKeyDWKKGVSUBJSFCU-UHFFFAOYSA-N
XLogP1.46
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.46
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

2-Furancarboxylic acid, hydrazide
CID 18731
5-[(3,5-Dimethylphenoxy)methyl]-2-furohydrazide
CID 726923
5-[(2-Methoxyphenoxy)methyl]furan-2-carbohydrazide
CID 840750
5-[(4-Nitrophenoxy)methyl]furan-2-carbohydrazide
CID 843248
5-[(4-Ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
N'-benzoyl-2-furohydrazide
CID 687074
5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furohydrazide
CID 717040
Furan-2-carboxylic acid N'-(3-phenyl-acryloyl)-hydrazide
CID 809418
5-((4-(tert-Butyl)phenoxy)methyl)furan-2-carbohydrazide
CID 948639
5-((2,5-Dimethylphenoxy)methyl)furan-2-carbohydrazide
CID 586918
5-[(3,4-Dimethylphenoxy)methyl]-2-furancarboxylic acid hydrazide
CID 717044
5-[(4-Bromophenoxy)methyl]-2-furancarboxylic acid hydrazide
CID 726932

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of 5-(phenoxymethyl)furan-2-carbohydrazide (CID 2125524) is 5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(phenoxymethyl)furan-2-carbohydrazide is NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is DWKKGVSUBJSFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c13-14-12(15)11-7-6-10(17-11)8-16-9-4-2-1-3-5-9/h1-7H,8,13H2,(H,14,15).
What are the key properties of 5-(phenoxymethyl)furan-2-carbohydrazide?
5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 232.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 2125524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).