4-methoxy-5-methylidenefuran-2-one

C6H6O3 — CID 11147716

IUPAC4-methoxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C=C1OC
InChIInChI=1S/C6H6O3/c1-4-5(8-2)3-6(7)9-4/h3H,1H2,2H3
InChIKeyZMBITPRDUVHSNM-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.59
Rot. Bonds1

About 4-methoxy-5-methylidenefuran-2-one

4-methoxy-5-methylidenefuran-2-one (PubChem CID 11147716) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 4-methoxy-5-methylidenefuran-2-one.

Molecular Properties

Compound Name4-methoxy-5-methylidenefuran-2-one
PubChem CID11147716
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name4-methoxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C=C1OC
InChIInChI=1S/C6H6O3/c1-4-5(8-2)3-6(7)9-4/h3H,1H2,2H3
InChIKeyZMBITPRDUVHSNM-UHFFFAOYSA-N
XLogP0.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methylidenefuran-2-one?
The IUPAC name of 4-methoxy-5-methylidenefuran-2-one (CID 11147716) is 4-methoxy-5-methylidenefuran-2-one.
What is the SMILES notation for 4-methoxy-5-methylidenefuran-2-one?
The canonical SMILES for 4-methoxy-5-methylidenefuran-2-one is C=C1OC(=O)C=C1OC.
What is the InChIKey of 4-methoxy-5-methylidenefuran-2-one?
The InChIKey is ZMBITPRDUVHSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c1-4-5(8-2)3-6(7)9-4/h3H,1H2,2H3.
What are the key properties of 4-methoxy-5-methylidenefuran-2-one?
4-methoxy-5-methylidenefuran-2-one has a molecular weight of 126.11 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methylidenefuran-2-one is sourced from PubChem (CID 11147716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).