3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide

C17H20N2O2 — CID 63576608

IUPAC3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide
SMILESCc1ccc(C)c(OCc2cccc(C(=O)NN)c2)c1C
InChIInChI=1S/C17H20N2O2/c1-11-7-8-12(2)16(13(11)3)21-10-14-5-4-6-15(9-14)17(20)19-18/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyZAHYUVPUQQMUAG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.79
Rot. Bonds4

About 3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide

3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide (PubChem CID 63576608) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide
PubChem CID63576608
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide
SMILESCc1ccc(C)c(OCc2cccc(C(=O)NN)c2)c1C
InChIInChI=1S/C17H20N2O2/c1-11-7-8-12(2)16(13(11)3)21-10-14-5-4-6-15(9-14)17(20)19-18/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyZAHYUVPUQQMUAG-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[(2,6-dimethylphenoxy)methyl]benzohydrazide
CID 7174125
3-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 840785
3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide
CID 83137082
3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
CID 63574676
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
CID 840752
3-[(4-formylphenoxy)methyl]benzohydrazide
CID 63571221
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
CID 63575567
3-[(2-cyanophenoxy)methyl]benzohydrazide
CID 63575853
5-[(2,3,6-trimethylphenoxy)methyl]thiophene-2-carbohydrazide
CID 63576610
3-[(5-chloro-2-cyanophenoxy)methyl]benzohydrazide
CID 114324027

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide?
The IUPAC name of 3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide (CID 63576608) is 3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide?
The canonical SMILES for 3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide is Cc1ccc(C)c(OCc2cccc(C(=O)NN)c2)c1C.
What is the InChIKey of 3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide?
The InChIKey is ZAHYUVPUQQMUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-7-8-12(2)16(13(11)3)21-10-14-5-4-6-15(9-14)17(20)19-18/h4-9H,10,18H2,1-3H3,(H,19,20).
What are the key properties of 3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide?
3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide has a molecular weight of 284.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 63576608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).