4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol

C21H19NO2 — CID 166625710

IUPAC4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol
SMILESCC(Cc1cccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H19NO2/c1-15(13-16-3-2-12-22-14-16)21(17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18/h2-12,14,23-24H,13H2,1H3
InChIKeyZSWFQGNKQQFSKP-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.56
Rot. Bonds4

About 4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol

4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol (PubChem CID 166625710) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol
PubChem CID166625710
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol
SMILESCC(Cc1cccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H19NO2/c1-15(13-16-3-2-12-22-14-16)21(17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18/h2-12,14,23-24H,13H2,1H3
InChIKeyZSWFQGNKQQFSKP-UHFFFAOYSA-N
XLogP4.56
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-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-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol (CID 166625710) is 4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol is CC(Cc1cccnc1)=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol?
The InChIKey is ZSWFQGNKQQFSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-15(13-16-3-2-12-22-14-16)21(17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18/h2-12,14,23-24H,13H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol?
4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol has a molecular weight of 317.39 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-2-methyl-3-pyridin-3-ylprop-1-enyl]phenol is sourced from PubChem (CID 166625710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).