2-ethanehydrazonoyl-3-methylphenol

C9H12N2O — CID 137274305

IUPAC2-ethanehydrazonoyl-3-methylphenol
SMILESC/C(=N\N)c1c(C)cccc1O
InChIInChI=1S/C9H12N2O/c1-6-4-3-5-8(12)9(6)7(2)11-10/h3-5,12H,10H2,1-2H3/b11-7+
InChIKeyOABZITKYIJOXPL-YRNVUSSQSA-N
MW164.21 g/mol
LogP1.38
Rot. Bonds1

About 2-ethanehydrazonoyl-3-methylphenol

2-ethanehydrazonoyl-3-methylphenol (PubChem CID 137274305) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-ethanehydrazonoyl-3-methylphenol.

Molecular Properties

Compound Name2-ethanehydrazonoyl-3-methylphenol
PubChem CID137274305
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-ethanehydrazonoyl-3-methylphenol
SMILESC/C(=N\N)c1c(C)cccc1O
InChIInChI=1S/C9H12N2O/c1-6-4-3-5-8(12)9(6)7(2)11-10/h3-5,12H,10H2,1-2H3/b11-7+
InChIKeyOABZITKYIJOXPL-YRNVUSSQSA-N
XLogP1.38
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethanehydrazonoyl-3-methylphenol?
The IUPAC name of 2-ethanehydrazonoyl-3-methylphenol (CID 137274305) is 2-ethanehydrazonoyl-3-methylphenol.
What is the SMILES notation for 2-ethanehydrazonoyl-3-methylphenol?
The canonical SMILES for 2-ethanehydrazonoyl-3-methylphenol is C/C(=N\N)c1c(C)cccc1O.
What is the InChIKey of 2-ethanehydrazonoyl-3-methylphenol?
The InChIKey is OABZITKYIJOXPL-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-4-3-5-8(12)9(6)7(2)11-10/h3-5,12H,10H2,1-2H3/b11-7+.
What are the key properties of 2-ethanehydrazonoyl-3-methylphenol?
2-ethanehydrazonoyl-3-methylphenol has a molecular weight of 164.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanehydrazonoyl-3-methylphenol is sourced from PubChem (CID 137274305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).