2-(hydroxymethyl)-6-methylpyran-4-one

C7H8O3 — CID 12006527

IUPAC2-(hydroxymethyl)-6-methylpyran-4-one
SMILESCc1cc(=O)cc(CO)o1
InChIInChI=1S/C7H8O3/c1-5-2-6(9)3-7(4-8)10-5/h2-3,8H,4H2,1H3
InChIKeyMFJUYEZNIVTQBL-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.44
Rot. Bonds1

About 2-(hydroxymethyl)-6-methylpyran-4-one

2-(hydroxymethyl)-6-methylpyran-4-one (PubChem CID 12006527) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methylpyran-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methylpyran-4-one
PubChem CID12006527
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name2-(hydroxymethyl)-6-methylpyran-4-one
SMILESCc1cc(=O)cc(CO)o1
InChIInChI=1S/C7H8O3/c1-5-2-6(9)3-7(4-8)10-5/h2-3,8H,4H2,1H3
InChIKeyMFJUYEZNIVTQBL-UHFFFAOYSA-N
XLogP0.44
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-5-methoxy-4H-pyran-4-one
CID 234556
3-hydroxy-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one
CID 10511097
3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone
CID 2747691
6-Methylkojic acid
CID 97371
2-(Hydroxy-methyl)-pyran-4-one
CID 15185529
2,6-Bis(hydroxymethyl)pyran-4-one
CID 11019099
6-(Hydroxymethyl)-3-methoxy-2-methylpyran-4-one
CID 85722686
2-(1-hydroxyethyl)-3-hydroxy-6-methyl-pyran-4(1H)-one
CID 10797228
2-Ethyl-3-hydroxy-6-(hydroxymethyl)pyran-4-one
CID 18922783
[6-(hydroxymethyl)-4H-pyran-2-yl]methanol
CID 23067526
4H-Pyran-4-one, 2-(hydroxymethyl)-5-propoxy-
CID 42625752
4-Ethoxy-5-hydroxyhept-3-en-2-one
CID 53770909

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methylpyran-4-one?
The IUPAC name of 2-(hydroxymethyl)-6-methylpyran-4-one (CID 12006527) is 2-(hydroxymethyl)-6-methylpyran-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-6-methylpyran-4-one?
The canonical SMILES for 2-(hydroxymethyl)-6-methylpyran-4-one is Cc1cc(=O)cc(CO)o1.
What is the InChIKey of 2-(hydroxymethyl)-6-methylpyran-4-one?
The InChIKey is MFJUYEZNIVTQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5-2-6(9)3-7(4-8)10-5/h2-3,8H,4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methylpyran-4-one?
2-(hydroxymethyl)-6-methylpyran-4-one has a molecular weight of 140.14 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methylpyran-4-one is sourced from PubChem (CID 12006527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).