diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

C20H23NO6 — CID 1241288

IUPACdiethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc(O)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-6-26-19(23)16-11(3)21-12(4)17(20(24)27-7-2)18(16)13-8-9-14(22)15(10-13)25-5/h8-10,22H,6-7H2,1-5H3
InChIKeyIOTGNPXNGUXQFE-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.43
Rot. Bonds6

About diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 1241288) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID1241288
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namediethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc(O)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-6-26-19(23)16-11(3)21-12(4)17(20(24)27-7-2)18(16)13-8-9-14(22)15(10-13)25-5/h8-10,22H,6-7H2,1-5H3
InChIKeyIOTGNPXNGUXQFE-UHFFFAOYSA-N
XLogP3.43
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (CID 1241288) is diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc(O)c(OC)c1.
What is the InChIKey of diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is IOTGNPXNGUXQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-6-26-19(23)16-11(3)21-12(4)17(20(24)27-7-2)18(16)13-8-9-14(22)15(10-13)25-5/h8-10,22H,6-7H2,1-5H3.
What are the key properties of diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 373.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 1241288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).