3-hydroxy-2-propylpyran-4-one

C8H10O3 — CID 4615530

IUPAC3-hydroxy-2-propylpyran-4-one
SMILESCCCc1occc(=O)c1O
InChIInChI=1S/C8H10O3/c1-2-3-7-8(10)6(9)4-5-11-7/h4-5,10H,2-3H2,1H3
InChIKeyDWAFWTJANIITML-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.30
Rot. Bonds2

About 3-hydroxy-2-propylpyran-4-one

3-hydroxy-2-propylpyran-4-one (PubChem CID 4615530) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-hydroxy-2-propylpyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2-propylpyran-4-one
PubChem CID4615530
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name3-hydroxy-2-propylpyran-4-one
SMILESCCCc1occc(=O)c1O
InChIInChI=1S/C8H10O3/c1-2-3-7-8(10)6(9)4-5-11-7/h4-5,10H,2-3H2,1H3
InChIKeyDWAFWTJANIITML-UHFFFAOYSA-N
XLogP1.30
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-propylpyran-4-one?
The IUPAC name of 3-hydroxy-2-propylpyran-4-one (CID 4615530) is 3-hydroxy-2-propylpyran-4-one.
What is the SMILES notation for 3-hydroxy-2-propylpyran-4-one?
The canonical SMILES for 3-hydroxy-2-propylpyran-4-one is CCCc1occc(=O)c1O.
What is the InChIKey of 3-hydroxy-2-propylpyran-4-one?
The InChIKey is DWAFWTJANIITML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-7-8(10)6(9)4-5-11-7/h4-5,10H,2-3H2,1H3.
What are the key properties of 3-hydroxy-2-propylpyran-4-one?
3-hydroxy-2-propylpyran-4-one has a molecular weight of 154.17 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-propylpyran-4-one is sourced from PubChem (CID 4615530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).