3-hydroxy-2,5,6-trimethylpyran-4-one

C8H10O3 — CID 14753408

IUPAC3-hydroxy-2,5,6-trimethylpyran-4-one
SMILESCc1oc(C)c(O)c(=O)c1C
InChIInChI=1S/C8H10O3/c1-4-5(2)11-6(3)8(10)7(4)9/h10H,1-3H3
InChIKeyCOIRLVVFOYBHOP-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.27
Rot. Bonds

About 3-hydroxy-2,5,6-trimethylpyran-4-one

3-hydroxy-2,5,6-trimethylpyran-4-one (PubChem CID 14753408) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-hydroxy-2,5,6-trimethylpyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2,5,6-trimethylpyran-4-one
PubChem CID14753408
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-hydroxy-2,5,6-trimethylpyran-4-one
SMILESCc1oc(C)c(O)c(=O)c1C
InChIInChI=1S/C8H10O3/c1-4-5(2)11-6(3)8(10)7(4)9/h10H,1-3H3
InChIKeyCOIRLVVFOYBHOP-UHFFFAOYSA-N
XLogP1.27
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2,5,6-trimethylpyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxy-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 14381939
4H-Pyran-4-one, 2-Pr-3-hydroxy-6-Me-
CID 10511302
Spinulosin
CID 66556
2,3-Dihydroxy-5,6-dimethyl-2,5-cyclohexadiene-1,4-dione
CID 136239716
2,5-Dihydroxy-3,6-dimethylbenzo-1,4-quinone
CID 318241
2-Hydroxy-3-methoxy-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 136349965
Fumiquinone B
CID 136773313
2,5-Diethyl-3,6-dihydroxy-[1,4]benzoquinone
CID 44631009
2,5-Dimethyl-3-hydroxy-1,4-benzoquinone
CID 4231438
3-Hydroxy-2,5-dimethylpyran-4-one
CID 14753405
5-Hydroxy-2,3-dimethylpyran-4-one
CID 14753406
2-Ethyl-3-hydroxy-5-methylpyran-4-one
CID 14753407

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,5,6-trimethylpyran-4-one?
The IUPAC name of 3-hydroxy-2,5,6-trimethylpyran-4-one (CID 14753408) is 3-hydroxy-2,5,6-trimethylpyran-4-one.
What is the SMILES notation for 3-hydroxy-2,5,6-trimethylpyran-4-one?
The canonical SMILES for 3-hydroxy-2,5,6-trimethylpyran-4-one is Cc1oc(C)c(O)c(=O)c1C.
What is the InChIKey of 3-hydroxy-2,5,6-trimethylpyran-4-one?
The InChIKey is COIRLVVFOYBHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-4-5(2)11-6(3)8(10)7(4)9/h10H,1-3H3.
What are the key properties of 3-hydroxy-2,5,6-trimethylpyran-4-one?
3-hydroxy-2,5,6-trimethylpyran-4-one has a molecular weight of 154.16 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,5,6-trimethylpyran-4-one is sourced from PubChem (CID 14753408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).