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

C21H19NO2 — CID 166627916

IUPAC4-[1-(4-hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C21H19NO2/c1-2-20(17-4-3-13-22-14-17)21(15-5-9-18(23)10-6-15)16-7-11-19(24)12-8-16/h3-14,23-24H,2H2,1H3
InChIKeyMBHMORKSXNOYLA-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.86
Rot. Bonds4

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

4-[1-(4-hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol (PubChem CID 166627916) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol
PubChem CID166627916
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name4-[1-(4-hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol
SMILESCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C21H19NO2/c1-2-20(17-4-3-13-22-14-17)21(15-5-9-18(23)10-6-15)16-7-11-19(24)12-8-16/h3-14,23-24H,2H2,1H3
InChIKeyMBHMORKSXNOYLA-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol (CID 166627916) is 4-[1-(4-hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol is CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccnc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol?
The InChIKey is MBHMORKSXNOYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-2-20(17-4-3-13-22-14-17)21(15-5-9-18(23)10-6-15)16-7-11-19(24)12-8-16/h3-14,23-24H,2H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol?
4-[1-(4-hydroxyphenyl)-2-pyridin-3-ylbut-1-enyl]phenol has a molecular weight of 317.39 g/mol, XLogP of 4.86, 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-pyridin-3-ylbut-1-enyl]phenol is sourced from PubChem (CID 166627916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).