[3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol

C13H13NO2 — CID 59205218

IUPAC[3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol
SMILESOCc1cnccc1C(O)c1ccccc1
InChIInChI=1S/C13H13NO2/c15-9-11-8-14-7-6-12(11)13(16)10-4-2-1-3-5-10/h1-8,13,15-16H,9H2
InChIKeyJBULZKNHTKFOQB-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.66
Rot. Bonds3

About [3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol

[3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol (PubChem CID 59205218) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is [3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol
PubChem CID59205218
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name[3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol
SMILESOCc1cnccc1C(O)c1ccccc1
InChIInChI=1S/C13H13NO2/c15-9-11-8-14-7-6-12(11)13(16)10-4-2-1-3-5-10/h1-8,13,15-16H,9H2
InChIKeyJBULZKNHTKFOQB-UHFFFAOYSA-N
XLogP1.66
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol?
The IUPAC name of [3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol (CID 59205218) is [3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol.
What is the SMILES notation for [3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol?
The canonical SMILES for [3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol is OCc1cnccc1C(O)c1ccccc1.
What is the InChIKey of [3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol?
The InChIKey is JBULZKNHTKFOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-9-11-8-14-7-6-12(11)13(16)10-4-2-1-3-5-10/h1-8,13,15-16H,9H2.
What are the key properties of [3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol?
[3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol has a molecular weight of 215.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol is sourced from PubChem (CID 59205218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).