5-hydroxy-2-(methoxymethyl)pyran-4-one

C7H8O4 — CID 10531300

IUPAC5-hydroxy-2-(methoxymethyl)pyran-4-one
SMILESCOCc1cc(=O)c(O)co1
InChIInChI=1S/C7H8O4/c1-10-3-5-2-6(8)7(9)4-11-5/h2,4,9H,3H2,1H3
InChIKeyLTCGBZPUCMZJRJ-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.49
Rot. Bonds2

About 5-hydroxy-2-(methoxymethyl)pyran-4-one

5-hydroxy-2-(methoxymethyl)pyran-4-one (PubChem CID 10531300) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5-hydroxy-2-(methoxymethyl)pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(methoxymethyl)pyran-4-one
PubChem CID10531300
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name5-hydroxy-2-(methoxymethyl)pyran-4-one
SMILESCOCc1cc(=O)c(O)co1
InChIInChI=1S/C7H8O4/c1-10-3-5-2-6(8)7(9)4-11-5/h2,4,9H,3H2,1H3
InChIKeyLTCGBZPUCMZJRJ-UHFFFAOYSA-N
XLogP0.49
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(methoxymethyl)pyran-4-one?
The IUPAC name of 5-hydroxy-2-(methoxymethyl)pyran-4-one (CID 10531300) is 5-hydroxy-2-(methoxymethyl)pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-(methoxymethyl)pyran-4-one?
The canonical SMILES for 5-hydroxy-2-(methoxymethyl)pyran-4-one is COCc1cc(=O)c(O)co1.
What is the InChIKey of 5-hydroxy-2-(methoxymethyl)pyran-4-one?
The InChIKey is LTCGBZPUCMZJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-10-3-5-2-6(8)7(9)4-11-5/h2,4,9H,3H2,1H3.
What are the key properties of 5-hydroxy-2-(methoxymethyl)pyran-4-one?
5-hydroxy-2-(methoxymethyl)pyran-4-one has a molecular weight of 156.14 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(methoxymethyl)pyran-4-one is sourced from PubChem (CID 10531300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).