ethane;methylhydrazine;phenol

C9H18N2O — CID 90762479

IUPACethane;methylhydrazine;phenol
SMILESCC.CNN.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H6.CH6N2/c7-6-4-2-1-3-5-6;1-2;1-3-2/h1-5,7H;1-2H3;3H,2H2,1H3
InChIKeyJLFGTYMVUZEABK-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.50
Rot. Bonds

About ethane;methylhydrazine;phenol

ethane;methylhydrazine;phenol (PubChem CID 90762479) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is ethane;methylhydrazine;phenol.

Molecular Properties

Compound Nameethane;methylhydrazine;phenol
PubChem CID90762479
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Nameethane;methylhydrazine;phenol
SMILESCC.CNN.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H6.CH6N2/c7-6-4-2-1-3-5-6;1-2;1-3-2/h1-5,7H;1-2H3;3H,2H2,1H3
InChIKeyJLFGTYMVUZEABK-UHFFFAOYSA-N
XLogP1.50
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.50
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 ethane;methylhydrazine;phenol?
The IUPAC name of ethane;methylhydrazine;phenol (CID 90762479) is ethane;methylhydrazine;phenol.
What is the SMILES notation for ethane;methylhydrazine;phenol?
The canonical SMILES for ethane;methylhydrazine;phenol is CC.CNN.Oc1ccccc1.
What is the InChIKey of ethane;methylhydrazine;phenol?
The InChIKey is JLFGTYMVUZEABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C2H6.CH6N2/c7-6-4-2-1-3-5-6;1-2;1-3-2/h1-5,7H;1-2H3;3H,2H2,1H3.
What are the key properties of ethane;methylhydrazine;phenol?
ethane;methylhydrazine;phenol has a molecular weight of 170.26 g/mol, XLogP of 1.50, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylhydrazine;phenol is sourced from PubChem (CID 90762479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).