5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol

C20H23NO4 — CID 162663927

IUPAC5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol
SMILESCOc1ccc(/C=C/c2nc(C)c3c(c2C)COC(C)(C)O3)c(O)c1
InChIInChI=1S/C20H23NO4/c1-12-16-11-24-20(3,4)25-19(16)13(2)21-17(12)9-7-14-6-8-15(23-5)10-18(14)22/h6-10,22H,11H2,1-5H3/b9-7+
InChIKeyICCDYAVJSBXYHW-VQHVLOKHSA-N
MW341.41 g/mol
LogP4.23
Rot. Bonds3

About 5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol

5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol (PubChem CID 162663927) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol
PubChem CID162663927
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol
SMILESCOc1ccc(/C=C/c2nc(C)c3c(c2C)COC(C)(C)O3)c(O)c1
InChIInChI=1S/C20H23NO4/c1-12-16-11-24-20(3,4)25-19(16)13(2)21-17(12)9-7-14-6-8-15(23-5)10-18(14)22/h6-10,22H,11H2,1-5H3/b9-7+
InChIKeyICCDYAVJSBXYHW-VQHVLOKHSA-N
XLogP4.23
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol?
The IUPAC name of 5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol (CID 162663927) is 5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol?
The canonical SMILES for 5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol is COc1ccc(/C=C/c2nc(C)c3c(c2C)COC(C)(C)O3)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol?
The InChIKey is ICCDYAVJSBXYHW-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H23NO4/c1-12-16-11-24-20(3,4)25-19(16)13(2)21-17(12)9-7-14-6-8-15(23-5)10-18(14)22/h6-10,22H,11H2,1-5H3/b9-7+.
What are the key properties of 5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol?
5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol has a molecular weight of 341.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(E)-2-(2,2,5,8-tetramethyl-4H-[1,3]dioxino[4,5-c]pyridin-6-yl)ethenyl]phenol is sourced from PubChem (CID 162663927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).