2-[hydroxy(pyridin-4-yl)methyl]phenol

C12H11NO2 — CID 14937590

IUPAC2-[hydroxy(pyridin-4-yl)methyl]phenol
SMILESOc1ccccc1C(O)c1ccncc1
InChIInChI=1S/C12H11NO2/c14-11-4-2-1-3-10(11)12(15)9-5-7-13-8-6-9/h1-8,12,14-15H
InChIKeyHKJXKANDRFGTKK-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.87
Rot. Bonds2

About 2-[hydroxy(pyridin-4-yl)methyl]phenol

2-[hydroxy(pyridin-4-yl)methyl]phenol (PubChem CID 14937590) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-[hydroxy(pyridin-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-[hydroxy(pyridin-4-yl)methyl]phenol
PubChem CID14937590
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name2-[hydroxy(pyridin-4-yl)methyl]phenol
SMILESOc1ccccc1C(O)c1ccncc1
InChIInChI=1S/C12H11NO2/c14-11-4-2-1-3-10(11)12(15)9-5-7-13-8-6-9/h1-8,12,14-15H
InChIKeyHKJXKANDRFGTKK-UHFFFAOYSA-N
XLogP1.87
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(pyridin-4-yl)methyl]phenol?
The IUPAC name of 2-[hydroxy(pyridin-4-yl)methyl]phenol (CID 14937590) is 2-[hydroxy(pyridin-4-yl)methyl]phenol.
What is the SMILES notation for 2-[hydroxy(pyridin-4-yl)methyl]phenol?
The canonical SMILES for 2-[hydroxy(pyridin-4-yl)methyl]phenol is Oc1ccccc1C(O)c1ccncc1.
What is the InChIKey of 2-[hydroxy(pyridin-4-yl)methyl]phenol?
The InChIKey is HKJXKANDRFGTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-11-4-2-1-3-10(11)12(15)9-5-7-13-8-6-9/h1-8,12,14-15H.
What are the key properties of 2-[hydroxy(pyridin-4-yl)methyl]phenol?
2-[hydroxy(pyridin-4-yl)methyl]phenol has a molecular weight of 201.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(pyridin-4-yl)methyl]phenol is sourced from PubChem (CID 14937590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).