2-ethoxypyrylium

C7H9O2+ — CID 102371570

IUPAC2-ethoxypyrylium
SMILESCCOc1cccc[o+]1
InChIInChI=1S/C7H9O2/c1-2-8-7-5-3-4-6-9-7/h3-6H,2H2,1H3/q+1
InChIKeySVXOQLGTNIBNOB-UHFFFAOYSA-N
MW125.15 g/mol
LogP1.96
Rot. Bonds2

About 2-ethoxypyrylium

2-ethoxypyrylium (PubChem CID 102371570) has the molecular formula C7H9O2+ and a molecular weight of 125.15 g/mol. Its IUPAC name is 2-ethoxypyrylium.

Molecular Properties

Compound Name2-ethoxypyrylium
PubChem CID102371570
Molecular FormulaC7H9O2+
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name2-ethoxypyrylium
SMILESCCOc1cccc[o+]1
InChIInChI=1S/C7H9O2/c1-2-8-7-5-3-4-6-9-7/h3-6H,2H2,1H3/q+1
InChIKeySVXOQLGTNIBNOB-UHFFFAOYSA-N
XLogP1.96
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxypyrylium?
The IUPAC name of 2-ethoxypyrylium (CID 102371570) is 2-ethoxypyrylium.
What is the SMILES notation for 2-ethoxypyrylium?
The canonical SMILES for 2-ethoxypyrylium is CCOc1cccc[o+]1.
What is the InChIKey of 2-ethoxypyrylium?
The InChIKey is SVXOQLGTNIBNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O2/c1-2-8-7-5-3-4-6-9-7/h3-6H,2H2,1H3/q+1.
What are the key properties of 2-ethoxypyrylium?
2-ethoxypyrylium has a molecular weight of 125.15 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypyrylium is sourced from PubChem (CID 102371570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).