3-bromo-2,5-dimethoxy-2,5-dihydrofuran

C6H9BrO3 — CID 11160099

IUPAC3-bromo-2,5-dimethoxy-2,5-dihydrofuran
SMILESCOC1C=C(Br)C(OC)O1
InChIInChI=1S/C6H9BrO3/c1-8-5-3-4(7)6(9-2)10-5/h3,5-6H,1-2H3
InChIKeyRUBCKABMZZZEAK-UHFFFAOYSA-N
MW209.04 g/mol
LogP1.24
Rot. Bonds2

About 3-bromo-2,5-dimethoxy-2,5-dihydrofuran

3-bromo-2,5-dimethoxy-2,5-dihydrofuran (PubChem CID 11160099) has the molecular formula C6H9BrO3 and a molecular weight of 209.04 g/mol. Its IUPAC name is 3-bromo-2,5-dimethoxy-2,5-dihydrofuran.

Molecular Properties

Compound Name3-bromo-2,5-dimethoxy-2,5-dihydrofuran
PubChem CID11160099
Molecular FormulaC6H9BrO3
Molecular Weight209.04 g/mol
Exact Mass207.97
IUPAC Name3-bromo-2,5-dimethoxy-2,5-dihydrofuran
SMILESCOC1C=C(Br)C(OC)O1
InChIInChI=1S/C6H9BrO3/c1-8-5-3-4(7)6(9-2)10-5/h3,5-6H,1-2H3
InChIKeyRUBCKABMZZZEAK-UHFFFAOYSA-N
XLogP1.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.04
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dimethoxy-2,5-dihydrofuran?
The IUPAC name of 3-bromo-2,5-dimethoxy-2,5-dihydrofuran (CID 11160099) is 3-bromo-2,5-dimethoxy-2,5-dihydrofuran.
What is the SMILES notation for 3-bromo-2,5-dimethoxy-2,5-dihydrofuran?
The canonical SMILES for 3-bromo-2,5-dimethoxy-2,5-dihydrofuran is COC1C=C(Br)C(OC)O1.
What is the InChIKey of 3-bromo-2,5-dimethoxy-2,5-dihydrofuran?
The InChIKey is RUBCKABMZZZEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrO3/c1-8-5-3-4(7)6(9-2)10-5/h3,5-6H,1-2H3.
What are the key properties of 3-bromo-2,5-dimethoxy-2,5-dihydrofuran?
3-bromo-2,5-dimethoxy-2,5-dihydrofuran has a molecular weight of 209.04 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dimethoxy-2,5-dihydrofuran is sourced from PubChem (CID 11160099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).