4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one

C18H15NO4 — CID 54695746

IUPAC4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one
SMILESCC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
InChIInChI=1S/C18H15NO4/c1-11(20)10-13(12-6-3-2-4-7-12)15-17(21)16-14(23-18(15)22)8-5-9-19-16/h2-9,13,21H,10H2,1H3
InChIKeyJOBGAZBDRXNGTO-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.00
Rot. Bonds4

About 4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one

4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one (PubChem CID 54695746) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one
PubChem CID54695746
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one
SMILESCC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O
InChIInChI=1S/C18H15NO4/c1-11(20)10-13(12-6-3-2-4-7-12)15-17(21)16-14(23-18(15)22)8-5-9-19-16/h2-9,13,21H,10H2,1H3
InChIKeyJOBGAZBDRXNGTO-UHFFFAOYSA-N
XLogP3.00
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one?
The IUPAC name of 4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one (CID 54695746) is 4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one is CC(=O)CC(c1ccccc1)c1c(O)c2ncccc2oc1=O.
What is the InChIKey of 4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one?
The InChIKey is JOBGAZBDRXNGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-11(20)10-13(12-6-3-2-4-7-12)15-17(21)16-14(23-18(15)22)8-5-9-19-16/h2-9,13,21H,10H2,1H3.
What are the key properties of 4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one?
4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one has a molecular weight of 309.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-2-one is sourced from PubChem (CID 54695746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).