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

C21H19NO — CID 46854605

IUPAC3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol
SMILESCC(C)=C(c1ccncc1)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C21H19NO/c1-15(2)21(18-10-12-22-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(23)14-19/h3-14,23H,1-2H3
InChIKeyJKDQWEZESBYNMI-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.30
Rot. Bonds3

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

3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol (PubChem CID 46854605) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol.

Molecular Properties

Compound Name3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol
PubChem CID46854605
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol
SMILESCC(C)=C(c1ccncc1)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C21H19NO/c1-15(2)21(18-10-12-22-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(23)14-19/h3-14,23H,1-2H3
InChIKeyJKDQWEZESBYNMI-UHFFFAOYSA-N
XLogP5.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol?
The IUPAC name of 3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol (CID 46854605) is 3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol.
What is the SMILES notation for 3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol?
The canonical SMILES for 3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol is CC(C)=C(c1ccncc1)c1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol?
The InChIKey is JKDQWEZESBYNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-15(2)21(18-10-12-22-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(23)14-19/h3-14,23H,1-2H3.
What are the key properties of 3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol?
3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol has a molecular weight of 301.39 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenol is sourced from PubChem (CID 46854605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).