2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one

C7H10O4 — CID 70598170

IUPAC2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one
SMILESCOC1=CC(O)OC(C)C1=O
InChIInChI=1S/C7H10O4/c1-4-7(9)5(10-2)3-6(8)11-4/h3-4,6,8H,1-2H3
InChIKeyYUSPPEZYWKJLDJ-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.18
Rot. Bonds1

About 2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one

2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one (PubChem CID 70598170) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one
PubChem CID70598170
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one
SMILESCOC1=CC(O)OC(C)C1=O
InChIInChI=1S/C7H10O4/c1-4-7(9)5(10-2)3-6(8)11-4/h3-4,6,8H,1-2H3
InChIKeyYUSPPEZYWKJLDJ-UHFFFAOYSA-N
XLogP-0.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one?
The IUPAC name of 2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one (CID 70598170) is 2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one.
What is the SMILES notation for 2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one?
The canonical SMILES for 2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one is COC1=CC(O)OC(C)C1=O.
What is the InChIKey of 2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one?
The InChIKey is YUSPPEZYWKJLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-4-7(9)5(10-2)3-6(8)11-4/h3-4,6,8H,1-2H3.
What are the key properties of 2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one?
2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one has a molecular weight of 158.15 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 70598170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).