furan-2,4-diol

C4H4O3 — CID 69334491

IUPACfuran-2,4-diol
SMILESOc1coc(O)c1
InChIInChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1-2,5-6H
InChIKeyATVQROYXCXDQIB-UHFFFAOYSA-N
MW100.07 g/mol
LogP0.69
Rot. Bonds

About furan-2,4-diol

furan-2,4-diol (PubChem CID 69334491) has the molecular formula C4H4O3 and a molecular weight of 100.07 g/mol. Its IUPAC name is furan-2,4-diol.

Molecular Properties

Compound Namefuran-2,4-diol
PubChem CID69334491
Molecular FormulaC4H4O3
Molecular Weight100.07 g/mol
Exact Mass100.02
IUPAC Namefuran-2,4-diol
SMILESOc1coc(O)c1
InChIInChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1-2,5-6H
InChIKeyATVQROYXCXDQIB-UHFFFAOYSA-N
XLogP0.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.07
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2,4-diol?
The IUPAC name of furan-2,4-diol (CID 69334491) is furan-2,4-diol.
What is the SMILES notation for furan-2,4-diol?
The canonical SMILES for furan-2,4-diol is Oc1coc(O)c1.
What is the InChIKey of furan-2,4-diol?
The InChIKey is ATVQROYXCXDQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1-2,5-6H.
What are the key properties of furan-2,4-diol?
furan-2,4-diol has a molecular weight of 100.07 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,4-diol is sourced from PubChem (CID 69334491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).