3-hydrazinyl-4-methylphenol

C7H10N2O — CID 130980882

IUPAC3-hydrazinyl-4-methylphenol
SMILESCc1ccc(O)cc1NN
InChIInChI=1S/C7H10N2O/c1-5-2-3-6(10)4-7(5)9-8/h2-4,9-10H,8H2,1H3
InChIKeyVSHPOIZEABMLNR-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.99
Rot. Bonds1

About 3-hydrazinyl-4-methylphenol

3-hydrazinyl-4-methylphenol (PubChem CID 130980882) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-hydrazinyl-4-methylphenol.

Molecular Properties

Compound Name3-hydrazinyl-4-methylphenol
PubChem CID130980882
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-hydrazinyl-4-methylphenol
SMILESCc1ccc(O)cc1NN
InChIInChI=1S/C7H10N2O/c1-5-2-3-6(10)4-7(5)9-8/h2-4,9-10H,8H2,1H3
InChIKeyVSHPOIZEABMLNR-UHFFFAOYSA-N
XLogP0.99
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 3-hydrazinyl-4-methylphenol?
The IUPAC name of 3-hydrazinyl-4-methylphenol (CID 130980882) is 3-hydrazinyl-4-methylphenol.
What is the SMILES notation for 3-hydrazinyl-4-methylphenol?
The canonical SMILES for 3-hydrazinyl-4-methylphenol is Cc1ccc(O)cc1NN.
What is the InChIKey of 3-hydrazinyl-4-methylphenol?
The InChIKey is VSHPOIZEABMLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-2-3-6(10)4-7(5)9-8/h2-4,9-10H,8H2,1H3.
What are the key properties of 3-hydrazinyl-4-methylphenol?
3-hydrazinyl-4-methylphenol has a molecular weight of 138.17 g/mol, XLogP of 0.99, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-4-methylphenol is sourced from PubChem (CID 130980882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).