4-hydroxy-3-(2-oxopropyl)pyran-2-one

C8H8O4 — CID 91216376

IUPAC4-hydroxy-3-(2-oxopropyl)pyran-2-one
SMILESCC(=O)Cc1c(O)ccoc1=O
InChIInChI=1S/C8H8O4/c1-5(9)4-6-7(10)2-3-12-8(6)11/h2-3,10H,4H2,1H3
InChIKeyWTGCOUJUNYYEJH-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.48
Rot. Bonds2

About 4-hydroxy-3-(2-oxopropyl)pyran-2-one

4-hydroxy-3-(2-oxopropyl)pyran-2-one (PubChem CID 91216376) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-hydroxy-3-(2-oxopropyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-oxopropyl)pyran-2-one
PubChem CID91216376
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name4-hydroxy-3-(2-oxopropyl)pyran-2-one
SMILESCC(=O)Cc1c(O)ccoc1=O
InChIInChI=1S/C8H8O4/c1-5(9)4-6-7(10)2-3-12-8(6)11/h2-3,10H,4H2,1H3
InChIKeyWTGCOUJUNYYEJH-UHFFFAOYSA-N
XLogP0.48
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Ethyl-4-hydroxy-3-propylpyran-2-one
CID 137654188
6-(Hydroxymethyl)-4-methoxy-5-(2-oxobutyl)pyran-2-one
CID 155548035
Piterrione A
CID 170989534
Ethyl 3-acetyl-2-methyl-6-oxopyran-4-carboxylate
CID 121223218
3-Ethyl-4-hydroxy-2H-pyran-2-one
CID 67854913
1-[4-hydroxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]butane-1,2-dione
CID 135871571
diethyl (E)-2-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]but-2-enedioate
CID 101444610
Methyl 2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-5,6-dioxocyclohexa-1,3-diene-1-carboxylate
CID 137295327
(E)-3-[2-(hydroxymethyl)-4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-3-methoxyprop-2-enoic acid
CID 155931781
3-(4-Hydroxy-2-oxopyran-3-yl)propanoic acid
CID 54749177
butyl (2E)-2-(2-hydroxy-4-oxocyclopent-2-en-1-ylidene)acetate
CID 15366922
methyl (2Z)-2-(2-hydroxy-4-oxocyclopent-2-en-1-ylidene)acetate
CID 133636082

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-oxopropyl)pyran-2-one?
The IUPAC name of 4-hydroxy-3-(2-oxopropyl)pyran-2-one (CID 91216376) is 4-hydroxy-3-(2-oxopropyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-oxopropyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-3-(2-oxopropyl)pyran-2-one is CC(=O)Cc1c(O)ccoc1=O.
What is the InChIKey of 4-hydroxy-3-(2-oxopropyl)pyran-2-one?
The InChIKey is WTGCOUJUNYYEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-5(9)4-6-7(10)2-3-12-8(6)11/h2-3,10H,4H2,1H3.
What are the key properties of 4-hydroxy-3-(2-oxopropyl)pyran-2-one?
4-hydroxy-3-(2-oxopropyl)pyran-2-one has a molecular weight of 168.15 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-oxopropyl)pyran-2-one is sourced from PubChem (CID 91216376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).