7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione

C18H17NO4 — CID 54707339

IUPAC7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESCC(C)(C)c1cc2oc(=O)cc(O)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C18H17NO4/c1-18(2,3)14-10-13-16(12(20)9-15(21)23-13)17(22)19(14)11-7-5-4-6-8-11/h4-10,20H,1-3H3
InChIKeyJQQATOKZQLAAPZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.95
Rot. Bonds1

About 7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione

7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 54707339) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID54707339
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESCC(C)(C)c1cc2oc(=O)cc(O)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C18H17NO4/c1-18(2,3)14-10-13-16(12(20)9-15(21)23-13)17(22)19(14)11-7-5-4-6-8-11/h4-10,20H,1-3H3
InChIKeyJQQATOKZQLAAPZ-UHFFFAOYSA-N
XLogP2.95
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione (CID 54707339) is 7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione is CC(C)(C)c1cc2oc(=O)cc(O)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is JQQATOKZQLAAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-18(2,3)14-10-13-16(12(20)9-15(21)23-13)17(22)19(14)11-7-5-4-6-8-11/h4-10,20H,1-3H3.
What are the key properties of 7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione?
7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 311.34 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-hydroxy-6-phenylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 54707339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).