[2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol

C13H13NO3 — CID 63653116

IUPAC[2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol
SMILESOCc1ccccc1Oc1ncccc1CO
InChIInChI=1S/C13H13NO3/c15-8-10-4-1-2-6-12(10)17-13-11(9-16)5-3-7-14-13/h1-7,15-16H,8-9H2
InChIKeyWCZXXYJZBPHEIY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.86
Rot. Bonds4

About [2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol

[2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol (PubChem CID 63653116) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol
PubChem CID63653116
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name[2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol
SMILESOCc1ccccc1Oc1ncccc1CO
InChIInChI=1S/C13H13NO3/c15-8-10-4-1-2-6-12(10)17-13-11(9-16)5-3-7-14-13/h1-7,15-16H,8-9H2
InChIKeyWCZXXYJZBPHEIY-UHFFFAOYSA-N
XLogP1.86
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethylphenoxy)-3-pyridinyl]methanol
CID 61257757
[2-[(3-methyl-2-pyridinyl)oxy]phenyl]methanol
CID 107713381
[2-(2-bromophenoxy)-3-pyridinyl]methanol
CID 61256696
[2-(2-tert-butylphenoxy)-3-pyridinyl]methanol
CID 61255865
[2-(2-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61255036
[2-(3-aminopyrazin-2-yl)oxyphenyl]methanol
CID 102988200
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid
CID 63681353
[2-(2,4-difluorophenoxy)-3-pyridinyl]methanol
CID 61256286
(2-phenylmethoxy-3-pyridinyl)methanol
CID 59210835
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboximidamide
CID 63654288
[2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 107713409
[2-(3-ethylphenoxy)-3-pyridinyl]methanol
CID 61257308

Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol?
The IUPAC name of [2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol (CID 63653116) is [2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol.
What is the SMILES notation for [2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol?
The canonical SMILES for [2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol is OCc1ccccc1Oc1ncccc1CO.
What is the InChIKey of [2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol?
The InChIKey is WCZXXYJZBPHEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-8-10-4-1-2-6-12(10)17-13-11(9-16)5-3-7-14-13/h1-7,15-16H,8-9H2.
What are the key properties of [2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol?
[2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol has a molecular weight of 231.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol is sourced from PubChem (CID 63653116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).