5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide

C14H20N2O4 — CID 63574989

IUPAC5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide
SMILESCOc1cc(C)ccc1OCC1CCC(C(=O)NN)O1
InChIInChI=1S/C14H20N2O4/c1-9-3-5-11(13(7-9)18-2)19-8-10-4-6-12(20-10)14(17)16-15/h3,5,7,10,12H,4,6,8,15H2,1-2H3,(H,16,17)
InChIKeyYZRWHMXNVDVTNU-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.92
Rot. Bonds5

About 5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide

5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide (PubChem CID 63574989) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide
PubChem CID63574989
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide
SMILESCOc1cc(C)ccc1OCC1CCC(C(=O)NN)O1
InChIInChI=1S/C14H20N2O4/c1-9-3-5-11(13(7-9)18-2)19-8-10-4-6-12(20-10)14(17)16-15/h3,5,7,10,12H,4,6,8,15H2,1-2H3,(H,16,17)
InChIKeyYZRWHMXNVDVTNU-UHFFFAOYSA-N
XLogP0.92
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.92
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

5-[(5-methyl-2-nitrophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576465
5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63576856
5-[(2,4,5-trichlorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576364
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63568562
5-[(2,5-difluorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570371
5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570508
2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63574823
5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide
CID 63576009
5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide
CID 63574932
5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 63576991
5-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]oxolane-2-carboxylic acid
CID 107742364
5-[(3-methylphenyl)sulfanylmethyl]oxolane-2-carbohydrazide
CID 63580547

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide (CID 63574989) is 5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide is COc1cc(C)ccc1OCC1CCC(C(=O)NN)O1.
What is the InChIKey of 5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide?
The InChIKey is YZRWHMXNVDVTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-3-5-11(13(7-9)18-2)19-8-10-4-6-12(20-10)14(17)16-15/h3,5,7,10,12H,4,6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide?
5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide has a molecular weight of 280.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63574989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).