4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

C16H15NO5 — CID 71754865

IUPAC4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cc(C2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1O
InChIInChI=1S/C16H15NO5/c1-8-5-13-15(16(20)17-8)10(7-14(19)22-13)9-3-4-11(18)12(6-9)21-2/h3-6,10,18H,7H2,1-2H3,(H,17,20)
InChIKeyUCFXRVMRQNCYER-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.84
Rot. Bonds2

About 4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 71754865) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID71754865
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cc(C2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1O
InChIInChI=1S/C16H15NO5/c1-8-5-13-15(16(20)17-8)10(7-14(19)22-13)9-3-4-11(18)12(6-9)21-2/h3-6,10,18H,7H2,1-2H3,(H,17,20)
InChIKeyUCFXRVMRQNCYER-UHFFFAOYSA-N
XLogP1.84
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 71754865) is 4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is COc1cc(C2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is UCFXRVMRQNCYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-8-5-13-15(16(20)17-8)10(7-14(19)22-13)9-3-4-11(18)12(6-9)21-2/h3-6,10,18H,7H2,1-2H3,(H,17,20).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 301.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 71754865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).