8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine

C20H23NO4 — CID 162655305

IUPAC8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine
SMILESCOc1ccc(/C=C/c2ncc(C)c3c2OC(C)(C)OC3)cc1OC
InChIInChI=1S/C20H23NO4/c1-13-11-21-16(19-15(13)12-24-20(2,3)25-19)8-6-14-7-9-17(22-4)18(10-14)23-5/h6-11H,12H2,1-5H3/b8-6+
InChIKeyHWXLRXLSFNOIOK-SOFGYWHQSA-N
MW341.41 g/mol
LogP4.22
Rot. Bonds4

About 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine

8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine (PubChem CID 162655305) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine.

Molecular Properties

Compound Name8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine
PubChem CID162655305
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine
SMILESCOc1ccc(/C=C/c2ncc(C)c3c2OC(C)(C)OC3)cc1OC
InChIInChI=1S/C20H23NO4/c1-13-11-21-16(19-15(13)12-24-20(2,3)25-19)8-6-14-7-9-17(22-4)18(10-14)23-5/h6-11H,12H2,1-5H3/b8-6+
InChIKeyHWXLRXLSFNOIOK-SOFGYWHQSA-N
XLogP4.22
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine?
The IUPAC name of 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine (CID 162655305) is 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine.
What is the SMILES notation for 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine?
The canonical SMILES for 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine is COc1ccc(/C=C/c2ncc(C)c3c2OC(C)(C)OC3)cc1OC.
What is the InChIKey of 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine?
The InChIKey is HWXLRXLSFNOIOK-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-11-21-16(19-15(13)12-24-20(2,3)25-19)8-6-14-7-9-17(22-4)18(10-14)23-5/h6-11H,12H2,1-5H3/b8-6+.
What are the key properties of 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine?
8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine has a molecular weight of 341.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,2,5-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine is sourced from PubChem (CID 162655305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).