2-hydroxy-3-methoxy-2H-furan-5-one

C5H6O4 — CID 11073448

IUPAC2-hydroxy-3-methoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1O
InChIInChI=1S/C5H6O4/c1-8-3-2-4(6)9-5(3)7/h2,5,7H,1H3
InChIKeyZFBPPZVSMKOHMW-UHFFFAOYSA-N
MW130.10 g/mol
LogP-0.61
Rot. Bonds1

About 2-hydroxy-3-methoxy-2H-furan-5-one

2-hydroxy-3-methoxy-2H-furan-5-one (PubChem CID 11073448) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-2H-furan-5-one
PubChem CID11073448
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name2-hydroxy-3-methoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1O
InChIInChI=1S/C5H6O4/c1-8-3-2-4(6)9-5(3)7/h2,5,7H,1H3
InChIKeyZFBPPZVSMKOHMW-UHFFFAOYSA-N
XLogP-0.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-2H-furan-5-one?
The IUPAC name of 2-hydroxy-3-methoxy-2H-furan-5-one (CID 11073448) is 2-hydroxy-3-methoxy-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-3-methoxy-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-3-methoxy-2H-furan-5-one is COC1=CC(=O)OC1O.
What is the InChIKey of 2-hydroxy-3-methoxy-2H-furan-5-one?
The InChIKey is ZFBPPZVSMKOHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c1-8-3-2-4(6)9-5(3)7/h2,5,7H,1H3.
What are the key properties of 2-hydroxy-3-methoxy-2H-furan-5-one?
2-hydroxy-3-methoxy-2H-furan-5-one has a molecular weight of 130.10 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 11073448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).