2-(1-bromoethoxy)-2H-pyran

C7H9BrO2 — CID 19829223

IUPAC2-(1-bromoethoxy)-2H-pyran
SMILESCC(Br)OC1C=CC=CO1
InChIInChI=1S/C7H9BrO2/c1-6(8)10-7-4-2-3-5-9-7/h2-7H,1H3
InChIKeyQGHXKCQPUTXINX-UHFFFAOYSA-N
MW205.05 g/mol
LogP2.17
Rot. Bonds2

About 2-(1-bromoethoxy)-2H-pyran

2-(1-bromoethoxy)-2H-pyran (PubChem CID 19829223) has the molecular formula C7H9BrO2 and a molecular weight of 205.05 g/mol. Its IUPAC name is 2-(1-bromoethoxy)-2H-pyran.

Molecular Properties

Compound Name2-(1-bromoethoxy)-2H-pyran
PubChem CID19829223
Molecular FormulaC7H9BrO2
Molecular Weight205.05 g/mol
Exact Mass203.98
IUPAC Name2-(1-bromoethoxy)-2H-pyran
SMILESCC(Br)OC1C=CC=CO1
InChIInChI=1S/C7H9BrO2/c1-6(8)10-7-4-2-3-5-9-7/h2-7H,1H3
InChIKeyQGHXKCQPUTXINX-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 52.17
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-(1-bromoethoxy)-2H-pyran?
The IUPAC name of 2-(1-bromoethoxy)-2H-pyran (CID 19829223) is 2-(1-bromoethoxy)-2H-pyran.
What is the SMILES notation for 2-(1-bromoethoxy)-2H-pyran?
The canonical SMILES for 2-(1-bromoethoxy)-2H-pyran is CC(Br)OC1C=CC=CO1.
What is the InChIKey of 2-(1-bromoethoxy)-2H-pyran?
The InChIKey is QGHXKCQPUTXINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrO2/c1-6(8)10-7-4-2-3-5-9-7/h2-7H,1H3.
What are the key properties of 2-(1-bromoethoxy)-2H-pyran?
2-(1-bromoethoxy)-2H-pyran has a molecular weight of 205.05 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethoxy)-2H-pyran is sourced from PubChem (CID 19829223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).