2-(2-bromoethoxy)-2H-pyran

C7H9BrO2 — CID 18456381

IUPAC2-(2-bromoethoxy)-2H-pyran
SMILESBrCCOC1C=CC=CO1
InChIInChI=1S/C7H9BrO2/c8-4-6-10-7-3-1-2-5-9-7/h1-3,5,7H,4,6H2
InChIKeyADGUPKFOOCCMII-UHFFFAOYSA-N
MW205.05 g/mol
LogP1.82
Rot. Bonds3

About 2-(2-bromoethoxy)-2H-pyran

2-(2-bromoethoxy)-2H-pyran (PubChem CID 18456381) has the molecular formula C7H9BrO2 and a molecular weight of 205.05 g/mol. Its IUPAC name is 2-(2-bromoethoxy)-2H-pyran.

Molecular Properties

Compound Name2-(2-bromoethoxy)-2H-pyran
PubChem CID18456381
Molecular FormulaC7H9BrO2
Molecular Weight205.05 g/mol
Exact Mass203.98
IUPAC Name2-(2-bromoethoxy)-2H-pyran
SMILESBrCCOC1C=CC=CO1
InChIInChI=1S/C7H9BrO2/c8-4-6-10-7-3-1-2-5-9-7/h1-3,5,7H,4,6H2
InChIKeyADGUPKFOOCCMII-UHFFFAOYSA-N
XLogP1.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethoxy)-2H-pyran?
The IUPAC name of 2-(2-bromoethoxy)-2H-pyran (CID 18456381) is 2-(2-bromoethoxy)-2H-pyran.
What is the SMILES notation for 2-(2-bromoethoxy)-2H-pyran?
The canonical SMILES for 2-(2-bromoethoxy)-2H-pyran is BrCCOC1C=CC=CO1.
What is the InChIKey of 2-(2-bromoethoxy)-2H-pyran?
The InChIKey is ADGUPKFOOCCMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrO2/c8-4-6-10-7-3-1-2-5-9-7/h1-3,5,7H,4,6H2.
What are the key properties of 2-(2-bromoethoxy)-2H-pyran?
2-(2-bromoethoxy)-2H-pyran has a molecular weight of 205.05 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethoxy)-2H-pyran is sourced from PubChem (CID 18456381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).