4-hydroxy-6-methylpyran-2-one

C6H6O3 — CID 54675757

IUPAC4-hydroxy-6-methylpyran-2-one
SMILESCc1cc(O)cc(=O)o1
InChIInChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
InChIKeyNSYSSMYQPLSPOD-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.65
Rot. Bonds

About 4-hydroxy-6-methylpyran-2-one

4-hydroxy-6-methylpyran-2-one (PubChem CID 54675757) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 4-hydroxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methylpyran-2-one
PubChem CID54675757
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name4-hydroxy-6-methylpyran-2-one
SMILESCc1cc(O)cc(=O)o1
InChIInChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
InChIKeyNSYSSMYQPLSPOD-UHFFFAOYSA-N
XLogP0.65
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methylpyran-2-one?
The IUPAC name of 4-hydroxy-6-methylpyran-2-one (CID 54675757) is 4-hydroxy-6-methylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-methylpyran-2-one is Cc1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-methylpyran-2-one?
The InChIKey is NSYSSMYQPLSPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3.
What are the key properties of 4-hydroxy-6-methylpyran-2-one?
4-hydroxy-6-methylpyran-2-one has a molecular weight of 126.11 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methylpyran-2-one is sourced from PubChem (CID 54675757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).