2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide

C16H18N2O2 — CID 63576169

IUPAC2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide
SMILESCc1cc(C)cc(OC(C(=O)NN)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-11-8-12(2)10-14(9-11)20-15(16(19)18-17)13-6-4-3-5-7-13/h3-10,15H,17H2,1-2H3,(H,18,19)
InChIKeyWLPHSZXUSDFAGQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.41
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide

2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide (PubChem CID 63576169) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide
PubChem CID63576169
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide
SMILESCc1cc(C)cc(OC(C(=O)NN)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-11-8-12(2)10-14(9-11)20-15(16(19)18-17)13-6-4-3-5-7-13/h3-10,15H,17H2,1-2H3,(H,18,19)
InChIKeyWLPHSZXUSDFAGQ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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

2-(2-chloro-4-methylphenoxy)-2-phenylacetohydrazide
CID 63569668
2-(4-bromo-2-methylphenoxy)-2-phenylacetohydrazide
CID 63570205
2-(3,5-dimethylphenoxy)propanehydrazide
CID 2758585
2-(2-fluorophenoxy)-2-phenylacetohydrazide
CID 63576514
2-(2-hydrazinyl-2-oxo-1-phenylethoxy)benzamide
CID 63576718
2-phenyl-2-propoxyacetohydrazide
CID 63569629
(2R)-N-(ethylcarbamoyl)-2-(3-methylphenoxy)-2-phenylacetamide
CID 7817517
N-(4-aminocyclohexyl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119475379
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784
2-(3-methylphenoxy)propanehydrazide
CID 3021693
2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid
CID 82023178
2-(2-fluoro-4-formylphenoxy)-2-phenylacetohydrazide
CID 107693702

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide (CID 63576169) is 2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide is Cc1cc(C)cc(OC(C(=O)NN)c2ccccc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide?
The InChIKey is WLPHSZXUSDFAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-8-12(2)10-14(9-11)20-15(16(19)18-17)13-6-4-3-5-7-13/h3-10,15H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide?
2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide has a molecular weight of 270.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide is sourced from PubChem (CID 63576169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).