5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide

C16H24N2O3 — CID 63568562

IUPAC5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide
SMILESCc1ccc(C(C)C)cc1OCC1CCC(C(=O)NN)O1
InChIInChI=1S/C16H24N2O3/c1-10(2)12-5-4-11(3)15(8-12)20-9-13-6-7-14(21-13)16(19)18-17/h4-5,8,10,13-14H,6-7,9,17H2,1-3H3,(H,18,19)
InChIKeyDUOASXVOCLSJOV-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.03
Rot. Bonds5

About 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide

5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide (PubChem CID 63568562) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide
PubChem CID63568562
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide
SMILESCc1ccc(C(C)C)cc1OCC1CCC(C(=O)NN)O1
InChIInChI=1S/C16H24N2O3/c1-10(2)12-5-4-11(3)15(8-12)20-9-13-6-7-14(21-13)16(19)18-17/h4-5,8,10,13-14H,6-7,9,17H2,1-3H3,(H,18,19)
InChIKeyDUOASXVOCLSJOV-UHFFFAOYSA-N
XLogP2.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.03
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-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63574989
5-[(2,5-difluorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570371
5-[(2,4,5-trichlorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576364
5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63576856
5-[(5-methyl-2-nitrophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576465
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-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
CID 55214373
5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 63576991
2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81004753
5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide
CID 63574932

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide (CID 63568562) is 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide is Cc1ccc(C(C)C)cc1OCC1CCC(C(=O)NN)O1.
What is the InChIKey of 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide?
The InChIKey is DUOASXVOCLSJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(2)12-5-4-11(3)15(8-12)20-9-13-6-7-14(21-13)16(19)18-17/h4-5,8,10,13-14H,6-7,9,17H2,1-3H3,(H,18,19).
What are the key properties of 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide?
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide has a molecular weight of 292.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63568562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).