4-[(2,6-dimethylphenoxy)methyl]benzohydrazide

C16H18N2O2 — CID 7174125

IUPAC4-[(2,6-dimethylphenoxy)methyl]benzohydrazide
SMILESCc1cccc(C)c1OCc1ccc(C(=O)NN)cc1
InChIInChI=1S/C16H18N2O2/c1-11-4-3-5-12(2)15(11)20-10-13-6-8-14(9-7-13)16(19)18-17/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyKMUAHUDITDEIQQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.49
Rot. Bonds4

About 4-[(2,6-dimethylphenoxy)methyl]benzohydrazide

4-[(2,6-dimethylphenoxy)methyl]benzohydrazide (PubChem CID 7174125) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenoxy)methyl]benzohydrazide
PubChem CID7174125
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[(2,6-dimethylphenoxy)methyl]benzohydrazide
SMILESCc1cccc(C)c1OCc1ccc(C(=O)NN)cc1
InChIInChI=1S/C16H18N2O2/c1-11-4-3-5-12(2)15(11)20-10-13-6-8-14(9-7-13)16(19)18-17/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyKMUAHUDITDEIQQ-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.49
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-(naphthalen-1-yloxymethyl)benzohydrazide
CID 948904
3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide
CID 63576608
phenyl 4-[(2,6-dimethylphenoxy)methyl]benzoate
CID 925914
4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide
CID 63574401
4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332359
4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246
4-[(3-bromophenoxy)methyl]benzohydrazide
CID 63575146
2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene
CID 65489726
4-[(4-phenylphenoxy)methyl]benzohydrazide
CID 2368822
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910
4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293754
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
CID 19462655

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]benzohydrazide?
The IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]benzohydrazide (CID 7174125) is 4-[(2,6-dimethylphenoxy)methyl]benzohydrazide.
What is the SMILES notation for 4-[(2,6-dimethylphenoxy)methyl]benzohydrazide?
The canonical SMILES for 4-[(2,6-dimethylphenoxy)methyl]benzohydrazide is Cc1cccc(C)c1OCc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-[(2,6-dimethylphenoxy)methyl]benzohydrazide?
The InChIKey is KMUAHUDITDEIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-4-3-5-12(2)15(11)20-10-13-6-8-14(9-7-13)16(19)18-17/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 4-[(2,6-dimethylphenoxy)methyl]benzohydrazide?
4-[(2,6-dimethylphenoxy)methyl]benzohydrazide has a molecular weight of 270.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 7174125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).