4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol

C23H23NO2 — CID 166635135

IUPAC4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol
SMILESCCC(CCc1cccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C23H23NO2/c1-2-18(6-5-17-4-3-15-24-16-17)23(19-7-11-21(25)12-8-19)20-9-13-22(26)14-10-20/h3-4,7-16,25-26H,2,5-6H2,1H3
InChIKeyKOGBMEXOZBVZLG-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.34
Rot. Bonds6

About 4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol

4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol (PubChem CID 166635135) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol
PubChem CID166635135
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol
SMILESCCC(CCc1cccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C23H23NO2/c1-2-18(6-5-17-4-3-15-24-16-17)23(19-7-11-21(25)12-8-19)20-9-13-22(26)14-10-20/h3-4,7-16,25-26H,2,5-6H2,1H3
InChIKeyKOGBMEXOZBVZLG-UHFFFAOYSA-N
XLogP5.34
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]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 4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol?
The IUPAC name of 4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol (CID 166635135) is 4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol.
What is the SMILES notation for 4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol?
The canonical SMILES for 4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol is CCC(CCc1cccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol?
The InChIKey is KOGBMEXOZBVZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-2-18(6-5-17-4-3-15-24-16-17)23(19-7-11-21(25)12-8-19)20-9-13-22(26)14-10-20/h3-4,7-16,25-26H,2,5-6H2,1H3.
What are the key properties of 4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol?
4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol has a molecular weight of 345.44 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-1-(4-hydroxyphenyl)-4-pyridin-3-ylbut-1-enyl]phenol is sourced from PubChem (CID 166635135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).