3-[(E)-2-pyridin-4-ylethenyl]phenol

C13H11NO — CID 642813

IUPAC3-[(E)-2-pyridin-4-ylethenyl]phenol
SMILESOc1cccc(/C=C/c2ccncc2)c1
InChIInChI=1S/C13H11NO/c15-13-3-1-2-12(10-13)5-4-11-6-8-14-9-7-11/h1-10,15H/b5-4+
InChIKeyFIPNDRODDFDFAS-SNAWJCMRSA-N
MW197.24 g/mol
LogP2.96
Rot. Bonds2

About 3-[(E)-2-pyridin-4-ylethenyl]phenol

3-[(E)-2-pyridin-4-ylethenyl]phenol (PubChem CID 642813) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[(E)-2-pyridin-4-ylethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-pyridin-4-ylethenyl]phenol
PubChem CID642813
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name3-[(E)-2-pyridin-4-ylethenyl]phenol
SMILESOc1cccc(/C=C/c2ccncc2)c1
InChIInChI=1S/C13H11NO/c15-13-3-1-2-12(10-13)5-4-11-6-8-14-9-7-11/h1-10,15H/b5-4+
InChIKeyFIPNDRODDFDFAS-SNAWJCMRSA-N
XLogP2.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.96
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-ylethenyl]phenol?
The IUPAC name of 3-[(E)-2-pyridin-4-ylethenyl]phenol (CID 642813) is 3-[(E)-2-pyridin-4-ylethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-pyridin-4-ylethenyl]phenol?
The canonical SMILES for 3-[(E)-2-pyridin-4-ylethenyl]phenol is Oc1cccc(/C=C/c2ccncc2)c1.
What is the InChIKey of 3-[(E)-2-pyridin-4-ylethenyl]phenol?
The InChIKey is FIPNDRODDFDFAS-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H11NO/c15-13-3-1-2-12(10-13)5-4-11-6-8-14-9-7-11/h1-10,15H/b5-4+.
What are the key properties of 3-[(E)-2-pyridin-4-ylethenyl]phenol?
3-[(E)-2-pyridin-4-ylethenyl]phenol has a molecular weight of 197.24 g/mol, XLogP of 2.96, 2 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-ylethenyl]phenol is sourced from PubChem (CID 642813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).