4-hydroxy-6-propan-2-ylpyran-2-one

C8H10O3 — CID 54686884

IUPAC4-hydroxy-6-propan-2-ylpyran-2-one
SMILESCC(C)c1cc(O)cc(=O)o1
InChIInChI=1S/C8H10O3/c1-5(2)7-3-6(9)4-8(10)11-7/h3-5,9H,1-2H3
InChIKeyQJQGKFBKKILFFI-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.47
Rot. Bonds1

About 4-hydroxy-6-propan-2-ylpyran-2-one

4-hydroxy-6-propan-2-ylpyran-2-one (PubChem CID 54686884) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 4-hydroxy-6-propan-2-ylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-propan-2-ylpyran-2-one
PubChem CID54686884
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name4-hydroxy-6-propan-2-ylpyran-2-one
SMILESCC(C)c1cc(O)cc(=O)o1
InChIInChI=1S/C8H10O3/c1-5(2)7-3-6(9)4-8(10)11-7/h3-5,9H,1-2H3
InChIKeyQJQGKFBKKILFFI-UHFFFAOYSA-N
XLogP1.47
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mesitene lactone
CID 12662
4-Hydroxy-6-pentyl-2H-pyran-2-one
CID 54686804
2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-
CID 162589
4,6-Dimethyl-5-formylpyran-2-one
CID 95775
Nectriapyrone
CID 5358550
Desmethylnectriapyrone
CID 54689128
Fumigermin
CID 54717357
4-Hydroxy-6-methyl-3-(3-methylbut-2-enyl)pyran-2-one
CID 54679299
4-Methyl-6-(2-methylprop-1-en-1-yl)-2H-pyran-2-one
CID 13480869
4-Hydroxy-3,5,6-trimethyl-2H-pyran-2-one
CID 54694046
Nocapyrone F
CID 53345950
3-Ethyl-4-hydroxy-6-methyl-2H-pyran-2-one
CID 54695810

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-propan-2-ylpyran-2-one?
The IUPAC name of 4-hydroxy-6-propan-2-ylpyran-2-one (CID 54686884) is 4-hydroxy-6-propan-2-ylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-propan-2-ylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-propan-2-ylpyran-2-one is CC(C)c1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-propan-2-ylpyran-2-one?
The InChIKey is QJQGKFBKKILFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5(2)7-3-6(9)4-8(10)11-7/h3-5,9H,1-2H3.
What are the key properties of 4-hydroxy-6-propan-2-ylpyran-2-one?
4-hydroxy-6-propan-2-ylpyran-2-one has a molecular weight of 154.16 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-propan-2-ylpyran-2-one is sourced from PubChem (CID 54686884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).