(2-ethoxyphenyl)methyldiazene

C9H12N2O — CID 123983555

IUPAC(2-ethoxyphenyl)methyldiazene
SMILES[H]/N=N/Cc1ccccc1OCC
InChIInChI=1S/C9H12N2O/c1-2-12-9-6-4-3-5-8(9)7-11-10/h3-6,10H,2,7H2,1H3/b11-10+
InChIKeyHSBZZVIXVRSJIS-ZHACJKMWSA-N
MW164.21 g/mol
LogP2.62
Rot. Bonds4

About (2-ethoxyphenyl)methyldiazene

(2-ethoxyphenyl)methyldiazene (PubChem CID 123983555) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyldiazene.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyldiazene
PubChem CID123983555
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(2-ethoxyphenyl)methyldiazene
SMILES[H]/N=N/Cc1ccccc1OCC
InChIInChI=1S/C9H12N2O/c1-2-12-9-6-4-3-5-8(9)7-11-10/h3-6,10H,2,7H2,1H3/b11-10+
InChIKeyHSBZZVIXVRSJIS-ZHACJKMWSA-N
XLogP2.62
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyldiazene?
The IUPAC name of (2-ethoxyphenyl)methyldiazene (CID 123983555) is (2-ethoxyphenyl)methyldiazene.
What is the SMILES notation for (2-ethoxyphenyl)methyldiazene?
The canonical SMILES for (2-ethoxyphenyl)methyldiazene is [H]/N=N/Cc1ccccc1OCC.
What is the InChIKey of (2-ethoxyphenyl)methyldiazene?
The InChIKey is HSBZZVIXVRSJIS-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-12-9-6-4-3-5-8(9)7-11-10/h3-6,10H,2,7H2,1H3/b11-10+.
What are the key properties of (2-ethoxyphenyl)methyldiazene?
(2-ethoxyphenyl)methyldiazene has a molecular weight of 164.21 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyldiazene is sourced from PubChem (CID 123983555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).