3,4-dihydroxy-2H-furan-5-one

C4H4O4 — CID 54703626

IUPAC3,4-dihydroxy-2H-furan-5-one
SMILESO=C1OCC(O)=C1O
InChIInChI=1S/C4H4O4/c5-2-1-8-4(7)3(2)6/h5-6H,1H2
InChIKeyQGLKIVPNOUPWOW-UHFFFAOYSA-N
MW116.07 g/mol
LogP-0.13
Rot. Bonds

About 3,4-dihydroxy-2H-furan-5-one

3,4-dihydroxy-2H-furan-5-one (PubChem CID 54703626) has the molecular formula C4H4O4 and a molecular weight of 116.07 g/mol. Its IUPAC name is 3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name3,4-dihydroxy-2H-furan-5-one
PubChem CID54703626
Molecular FormulaC4H4O4
Molecular Weight116.07 g/mol
Exact Mass116.01
IUPAC Name3,4-dihydroxy-2H-furan-5-one
SMILESO=C1OCC(O)=C1O
InChIInChI=1S/C4H4O4/c5-2-1-8-4(7)3(2)6/h5-6H,1H2
InChIKeyQGLKIVPNOUPWOW-UHFFFAOYSA-N
XLogP-0.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.07
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of 3,4-dihydroxy-2H-furan-5-one (CID 54703626) is 3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for 3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for 3,4-dihydroxy-2H-furan-5-one is O=C1OCC(O)=C1O.
What is the InChIKey of 3,4-dihydroxy-2H-furan-5-one?
The InChIKey is QGLKIVPNOUPWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O4/c5-2-1-8-4(7)3(2)6/h5-6H,1H2.
What are the key properties of 3,4-dihydroxy-2H-furan-5-one?
3,4-dihydroxy-2H-furan-5-one has a molecular weight of 116.07 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 54703626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).