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

C10H11N2O2+ — CID 11735639

IUPAC(Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium
SMILESCCO/C(O)=C(\[N+]#N)c1ccccc1
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)9(12-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3/p+1/b10-9-
InChIKeyDYCIOVIEGYZBJP-KTKRTIGZSA-O
MW191.21 g/mol
LogP2.76
Rot. Bonds3

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

(Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium (PubChem CID 11735639) has the molecular formula C10H11N2O2+ and a molecular weight of 191.21 g/mol. Its IUPAC name is (Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium.

Molecular Properties

Compound Name(Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium
PubChem CID11735639
Molecular FormulaC10H11N2O2+
Molecular Weight191.21 g/mol
Exact Mass191.08
IUPAC Name(Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium
SMILESCCO/C(O)=C(\[N+]#N)c1ccccc1
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)9(12-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3/p+1/b10-9-
InChIKeyDYCIOVIEGYZBJP-KTKRTIGZSA-O
XLogP2.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.76
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-ethoxy-2-hydroxy-1-phenylethenediazonium?
The IUPAC name of (Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium (CID 11735639) is (Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium.
What is the SMILES notation for (Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium?
The canonical SMILES for (Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium is CCO/C(O)=C(\[N+]#N)c1ccccc1.
What is the InChIKey of (Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium?
The InChIKey is DYCIOVIEGYZBJP-KTKRTIGZSA-O. The full InChI is InChI=1S/C10H10N2O2/c1-2-14-10(13)9(12-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3/p+1/b10-9-.
What are the key properties of (Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium?
(Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium has a molecular weight of 191.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethoxy-2-hydroxy-1-phenylethenediazonium is sourced from PubChem (CID 11735639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).