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

C15H15NO — CID 6172556

IUPAC3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol
SMILESCC/C(=C\c1cccc(O)c1)c1ccncc1
InChIInChI=1S/C15H15NO/c1-2-13(14-6-8-16-9-7-14)10-12-4-3-5-15(17)11-12/h3-11,17H,2H2,1H3/b13-10+
InChIKeyIPSSUCQDQBETMX-JLHYYAGUSA-N
MW225.29 g/mol
LogP3.74
Rot. Bonds3

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

3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol (PubChem CID 6172556) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol
PubChem CID6172556
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol
SMILESCC/C(=C\c1cccc(O)c1)c1ccncc1
InChIInChI=1S/C15H15NO/c1-2-13(14-6-8-16-9-7-14)10-12-4-3-5-15(17)11-12/h3-11,17H,2H2,1H3/b13-10+
InChIKeyIPSSUCQDQBETMX-JLHYYAGUSA-N
XLogP3.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol?
The IUPAC name of 3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol (CID 6172556) is 3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol.
What is the SMILES notation for 3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol?
The canonical SMILES for 3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol is CC/C(=C\c1cccc(O)c1)c1ccncc1.
What is the InChIKey of 3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol?
The InChIKey is IPSSUCQDQBETMX-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-13(14-6-8-16-9-7-14)10-12-4-3-5-15(17)11-12/h3-11,17H,2H2,1H3/b13-10+.
What are the key properties of 3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol?
3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol has a molecular weight of 225.29 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol is sourced from PubChem (CID 6172556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).