furan-3-one;methanol

C5H8O3 — CID 157418992

IUPACfuran-3-one;methanol
SMILESCO.O=C1C=COC1
InChIInChI=1S/C4H4O2.CH4O/c5-4-1-2-6-3-4;1-2/h1-2H,3H2;2H,1H3
InChIKeyBPEMCTNJEWQGNS-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.29
Rot. Bonds

About furan-3-one;methanol

furan-3-one;methanol (PubChem CID 157418992) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is furan-3-one;methanol.

Molecular Properties

Compound Namefuran-3-one;methanol
PubChem CID157418992
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Namefuran-3-one;methanol
SMILESCO.O=C1C=COC1
InChIInChI=1S/C4H4O2.CH4O/c5-4-1-2-6-3-4;1-2/h1-2H,3H2;2H,1H3
InChIKeyBPEMCTNJEWQGNS-UHFFFAOYSA-N
XLogP-0.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-3-one;methanol?
The IUPAC name of furan-3-one;methanol (CID 157418992) is furan-3-one;methanol.
What is the SMILES notation for furan-3-one;methanol?
The canonical SMILES for furan-3-one;methanol is CO.O=C1C=COC1.
What is the InChIKey of furan-3-one;methanol?
The InChIKey is BPEMCTNJEWQGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2.CH4O/c5-4-1-2-6-3-4;1-2/h1-2H,3H2;2H,1H3.
What are the key properties of furan-3-one;methanol?
furan-3-one;methanol has a molecular weight of 116.12 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-one;methanol is sourced from PubChem (CID 157418992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).