3-bromo-2,5-dihydrofuran-2,5-diol

C4H5BrO3 — CID 175631022

IUPAC3-bromo-2,5-dihydrofuran-2,5-diol
SMILESOC1C=C(Br)C(O)O1
InChIInChI=1S/C4H5BrO3/c5-2-1-3(6)8-4(2)7/h1,3-4,6-7H
InChIKeyWJFMTGJQCNIDAH-UHFFFAOYSA-N
MW180.99 g/mol
LogP-0.07
Rot. Bonds

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

3-bromo-2,5-dihydrofuran-2,5-diol (PubChem CID 175631022) has the molecular formula C4H5BrO3 and a molecular weight of 180.99 g/mol. Its IUPAC name is 3-bromo-2,5-dihydrofuran-2,5-diol.

Molecular Properties

Compound Name3-bromo-2,5-dihydrofuran-2,5-diol
PubChem CID175631022
Molecular FormulaC4H5BrO3
Molecular Weight180.99 g/mol
Exact Mass179.94
IUPAC Name3-bromo-2,5-dihydrofuran-2,5-diol
SMILESOC1C=C(Br)C(O)O1
InChIInChI=1S/C4H5BrO3/c5-2-1-3(6)8-4(2)7/h1,3-4,6-7H
InChIKeyWJFMTGJQCNIDAH-UHFFFAOYSA-N
XLogP-0.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.99
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dihydrofuran-2,5-diol?
The IUPAC name of 3-bromo-2,5-dihydrofuran-2,5-diol (CID 175631022) is 3-bromo-2,5-dihydrofuran-2,5-diol.
What is the SMILES notation for 3-bromo-2,5-dihydrofuran-2,5-diol?
The canonical SMILES for 3-bromo-2,5-dihydrofuran-2,5-diol is OC1C=C(Br)C(O)O1.
What is the InChIKey of 3-bromo-2,5-dihydrofuran-2,5-diol?
The InChIKey is WJFMTGJQCNIDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrO3/c5-2-1-3(6)8-4(2)7/h1,3-4,6-7H.
What are the key properties of 3-bromo-2,5-dihydrofuran-2,5-diol?
3-bromo-2,5-dihydrofuran-2,5-diol has a molecular weight of 180.99 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dihydrofuran-2,5-diol is sourced from PubChem (CID 175631022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).