2-(hydroxymethyl)pyran-4-one

C6H6O3 — CID 15185529

IUPAC2-(hydroxymethyl)pyran-4-one
SMILESO=c1ccoc(CO)c1
InChIInChI=1S/C6H6O3/c7-4-6-3-5(8)1-2-9-6/h1-3,7H,4H2
InChIKeyQGMUQNGCHMXCKJ-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.13
Rot. Bonds1

About 2-(hydroxymethyl)pyran-4-one

2-(hydroxymethyl)pyran-4-one (PubChem CID 15185529) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 2-(hydroxymethyl)pyran-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)pyran-4-one
PubChem CID15185529
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name2-(hydroxymethyl)pyran-4-one
SMILESO=c1ccoc(CO)c1
InChIInChI=1S/C6H6O3/c7-4-6-3-5(8)1-2-9-6/h1-3,7H,4H2
InChIKeyQGMUQNGCHMXCKJ-UHFFFAOYSA-N
XLogP0.13
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)pyran-4-one?
The IUPAC name of 2-(hydroxymethyl)pyran-4-one (CID 15185529) is 2-(hydroxymethyl)pyran-4-one.
What is the SMILES notation for 2-(hydroxymethyl)pyran-4-one?
The canonical SMILES for 2-(hydroxymethyl)pyran-4-one is O=c1ccoc(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)pyran-4-one?
The InChIKey is QGMUQNGCHMXCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c7-4-6-3-5(8)1-2-9-6/h1-3,7H,4H2.
What are the key properties of 2-(hydroxymethyl)pyran-4-one?
2-(hydroxymethyl)pyran-4-one has a molecular weight of 126.11 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)pyran-4-one is sourced from PubChem (CID 15185529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).