5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide

C13H13IN2O3 — CID 63569641

IUPAC5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(COc2ccccc2I)cc1C(=O)NN
InChIInChI=1S/C13H13IN2O3/c1-8-10(13(17)16-15)6-9(19-8)7-18-12-5-3-2-4-11(12)14/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyCWILNJSLHXGKEO-UHFFFAOYSA-N
MW372.16 g/mol
LogP2.38
Rot. Bonds4

About 5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide

5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 63569641) has the molecular formula C13H13IN2O3 and a molecular weight of 372.16 g/mol. Its IUPAC name is 5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID63569641
Molecular FormulaC13H13IN2O3
Molecular Weight372.16 g/mol
Exact Mass372.00
IUPAC Name5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(COc2ccccc2I)cc1C(=O)NN
InChIInChI=1S/C13H13IN2O3/c1-8-10(13(17)16-15)6-9(19-8)7-18-12-5-3-2-4-11(12)14/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyCWILNJSLHXGKEO-UHFFFAOYSA-N
XLogP2.38
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 52.38
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[(2,4,6-triiodophenoxy)methyl]furan-3-carbohydrazide
CID 63574578
5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 102987684
5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-2-methylfuran-3-carbohydrazide
CID 103175971
2-[2-(2-iodophenoxy)ethoxy]benzohydrazide
CID 63570332
2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid
CID 43477195
5-[(2-bromophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43476801
2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-carboxylic acid
CID 63647950
4-[(2-iodophenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62275317
5-[(3-chloro-4-cyanophenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 102724830
2-methyl-5-[(4-methylcyclohexyl)oxymethyl]furan-3-carbohydrazide
CID 63575241
2-methyl-5-[(2-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 43394449
2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63582837

Frequently Asked Questions

What is the IUPAC name of 5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide (CID 63569641) is 5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide is Cc1oc(COc2ccccc2I)cc1C(=O)NN.
What is the InChIKey of 5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is CWILNJSLHXGKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O3/c1-8-10(13(17)16-15)6-9(19-8)7-18-12-5-3-2-4-11(12)14/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of 5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide?
5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 372.16 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 63569641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).