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

C5H6O3 — CID 643477

IUPAC3-methoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1
InChIInChI=1S/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H3
InChIKeyVOYDEHILKLSVNN-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.07
Rot. Bonds1

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

3-methoxy-2H-furan-5-one (PubChem CID 643477) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name3-methoxy-2H-furan-5-one
PubChem CID643477
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name3-methoxy-2H-furan-5-one
SMILESCOC1=CC(=O)OC1
InChIInChI=1S/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H3
InChIKeyVOYDEHILKLSVNN-UHFFFAOYSA-N
XLogP0.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2H-furan-5-one?
The IUPAC name of 3-methoxy-2H-furan-5-one (CID 643477) is 3-methoxy-2H-furan-5-one.
What is the SMILES notation for 3-methoxy-2H-furan-5-one?
The canonical SMILES for 3-methoxy-2H-furan-5-one is COC1=CC(=O)OC1.
What is the InChIKey of 3-methoxy-2H-furan-5-one?
The InChIKey is VOYDEHILKLSVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H3.
What are the key properties of 3-methoxy-2H-furan-5-one?
3-methoxy-2H-furan-5-one has a molecular weight of 114.10 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2H-furan-5-one is sourced from PubChem (CID 643477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).