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

C18H19NO3 — CID 126842833

IUPAC3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol
SMILESCc1ncc(/C=C/c2cccc(O)c2)c2c1OC(C)(C)OC2
InChIInChI=1S/C18H19NO3/c1-12-17-16(11-21-18(2,3)22-17)14(10-19-12)8-7-13-5-4-6-15(20)9-13/h4-10,20H,11H2,1-3H3/b8-7+
InChIKeyAUWINQVBUYIWAN-BQYQJAHWSA-N
MW297.35 g/mol
LogP3.91
Rot. Bonds2

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

3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol (PubChem CID 126842833) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol
PubChem CID126842833
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol
SMILESCc1ncc(/C=C/c2cccc(O)c2)c2c1OC(C)(C)OC2
InChIInChI=1S/C18H19NO3/c1-12-17-16(11-21-18(2,3)22-17)14(10-19-12)8-7-13-5-4-6-15(20)9-13/h4-10,20H,11H2,1-3H3/b8-7+
InChIKeyAUWINQVBUYIWAN-BQYQJAHWSA-N
XLogP3.91
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol?
The IUPAC name of 3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol (CID 126842833) is 3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol is Cc1ncc(/C=C/c2cccc(O)c2)c2c1OC(C)(C)OC2.
What is the InChIKey of 3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol?
The InChIKey is AUWINQVBUYIWAN-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-17-16(11-21-18(2,3)22-17)14(10-19-12)8-7-13-5-4-6-15(20)9-13/h4-10,20H,11H2,1-3H3/b8-7+.
What are the key properties of 3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol?
3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol has a molecular weight of 297.35 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethenyl]phenol is sourced from PubChem (CID 126842833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).