(Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium

C9H9N2O2+ — CID 11095149

IUPAC(Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium
SMILESCO/C(O)=C(\[N+]#N)c1ccccc1
InChIInChI=1S/C9H8N2O2/c1-13-9(12)8(11-10)7-5-3-2-4-6-7/h2-6H,1H3/p+1/b9-8-
InChIKeyHYAAEBUKCXOFDT-HJWRWDBZSA-O
MW177.18 g/mol
LogP2.37
Rot. Bonds2

About (Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium

(Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium (PubChem CID 11095149) has the molecular formula C9H9N2O2+ and a molecular weight of 177.18 g/mol. Its IUPAC name is (Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium.

Molecular Properties

Compound Name(Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium
PubChem CID11095149
Molecular FormulaC9H9N2O2+
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name(Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium
SMILESCO/C(O)=C(\[N+]#N)c1ccccc1
InChIInChI=1S/C9H8N2O2/c1-13-9(12)8(11-10)7-5-3-2-4-6-7/h2-6H,1H3/p+1/b9-8-
InChIKeyHYAAEBUKCXOFDT-HJWRWDBZSA-O
XLogP2.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium?
The IUPAC name of (Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium (CID 11095149) is (Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium.
What is the SMILES notation for (Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium?
The canonical SMILES for (Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium is CO/C(O)=C(\[N+]#N)c1ccccc1.
What is the InChIKey of (Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium?
The InChIKey is HYAAEBUKCXOFDT-HJWRWDBZSA-O. The full InChI is InChI=1S/C9H8N2O2/c1-13-9(12)8(11-10)7-5-3-2-4-6-7/h2-6H,1H3/p+1/b9-8-.
What are the key properties of (Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium?
(Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium has a molecular weight of 177.18 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-2-methoxy-1-phenylethenediazonium is sourced from PubChem (CID 11095149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).