2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one

C11H10O5 — CID 122641511

IUPAC2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one
SMILESCC1=CC(Oc2c(C)occc2=O)OC1=O
InChIInChI=1S/C11H10O5/c1-6-5-9(16-11(6)13)15-10-7(2)14-4-3-8(10)12/h3-5,9H,1-2H3
InChIKeyUNHRIDCABPMVJZ-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.16
Rot. Bonds2

About 2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one

2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one (PubChem CID 122641511) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one
PubChem CID122641511
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one
SMILESCC1=CC(Oc2c(C)occc2=O)OC1=O
InChIInChI=1S/C11H10O5/c1-6-5-9(16-11(6)13)15-10-7(2)14-4-3-8(10)12/h3-5,9H,1-2H3
InChIKeyUNHRIDCABPMVJZ-UHFFFAOYSA-N
XLogP1.16
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one?
The IUPAC name of 2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one (CID 122641511) is 2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one.
What is the SMILES notation for 2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one?
The canonical SMILES for 2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one is CC1=CC(Oc2c(C)occc2=O)OC1=O.
What is the InChIKey of 2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one?
The InChIKey is UNHRIDCABPMVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-6-5-9(16-11(6)13)15-10-7(2)14-4-3-8(10)12/h3-5,9H,1-2H3.
What are the key properties of 2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one?
2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one has a molecular weight of 222.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]pyran-4-one is sourced from PubChem (CID 122641511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).