2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol

C14H13NO2 — CID 118728572

IUPAC2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol
SMILESOc1ccccc1C(O)/C=C/c1ccccn1
InChIInChI=1S/C14H13NO2/c16-13-7-2-1-6-12(13)14(17)9-8-11-5-3-4-10-15-11/h1-10,14,16-17H/b9-8+
InChIKeyCMCAVJLJULGXKY-CMDGGOBGSA-N
MW227.26 g/mol
LogP2.53
Rot. Bonds3

About 2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol

2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol (PubChem CID 118728572) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol.

Molecular Properties

Compound Name2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol
PubChem CID118728572
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol
SMILESOc1ccccc1C(O)/C=C/c1ccccn1
InChIInChI=1S/C14H13NO2/c16-13-7-2-1-6-12(13)14(17)9-8-11-5-3-4-10-15-11/h1-10,14,16-17H/b9-8+
InChIKeyCMCAVJLJULGXKY-CMDGGOBGSA-N
XLogP2.53
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol?
The IUPAC name of 2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol (CID 118728572) is 2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol.
What is the SMILES notation for 2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol?
The canonical SMILES for 2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol is Oc1ccccc1C(O)/C=C/c1ccccn1.
What is the InChIKey of 2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol?
The InChIKey is CMCAVJLJULGXKY-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13-7-2-1-6-12(13)14(17)9-8-11-5-3-4-10-15-11/h1-10,14,16-17H/b9-8+.
What are the key properties of 2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol?
2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol has a molecular weight of 227.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-hydroxy-3-pyridin-2-ylprop-2-enyl]phenol is sourced from PubChem (CID 118728572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).