[2-(2-ethylhexoxy)-3-pyridinyl]methanol

C14H23NO2 — CID 61257576

IUPAC[2-(2-ethylhexoxy)-3-pyridinyl]methanol
SMILESCCCCC(CC)COc1ncccc1CO
InChIInChI=1S/C14H23NO2/c1-3-5-7-12(4-2)11-17-14-13(10-16)8-6-9-15-14/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3
InChIKeyBVLOJUYYZSXJGD-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.17
Rot. Bonds8

About [2-(2-ethylhexoxy)-3-pyridinyl]methanol

[2-(2-ethylhexoxy)-3-pyridinyl]methanol (PubChem CID 61257576) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [2-(2-ethylhexoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2-ethylhexoxy)-3-pyridinyl]methanol
PubChem CID61257576
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[2-(2-ethylhexoxy)-3-pyridinyl]methanol
SMILESCCCCC(CC)COc1ncccc1CO
InChIInChI=1S/C14H23NO2/c1-3-5-7-12(4-2)11-17-14-13(10-16)8-6-9-15-14/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3
InChIKeyBVLOJUYYZSXJGD-UHFFFAOYSA-N
XLogP3.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine
CID 62290565
[4-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 81238636
[1-(2-ethylhexoxy)isoquinolin-3-yl]methanol
CID 63445899
3-bromo-2-(2-ethylhexoxy)-4-methylpyridine
CID 106877875
[2-(2-propoxyethoxy)-3-pyridinyl]methanol
CID 63684391
2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid
CID 105379977
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
[2-[(1R)-1-aminopentyl]-3-pyridinyl]methanol
CID 55263692
[1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine
CID 106777323
3-(2-ethylhexoxymethyl)pyridine-2-carboximidamide
CID 62894918
3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol
CID 82729718
2-ethylhexyl pyridine-2-carboxylate
CID 46198409

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylhexoxy)-3-pyridinyl]methanol?
The IUPAC name of [2-(2-ethylhexoxy)-3-pyridinyl]methanol (CID 61257576) is [2-(2-ethylhexoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(2-ethylhexoxy)-3-pyridinyl]methanol?
The canonical SMILES for [2-(2-ethylhexoxy)-3-pyridinyl]methanol is CCCCC(CC)COc1ncccc1CO.
What is the InChIKey of [2-(2-ethylhexoxy)-3-pyridinyl]methanol?
The InChIKey is BVLOJUYYZSXJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-7-12(4-2)11-17-14-13(10-16)8-6-9-15-14/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3.
What are the key properties of [2-(2-ethylhexoxy)-3-pyridinyl]methanol?
[2-(2-ethylhexoxy)-3-pyridinyl]methanol has a molecular weight of 237.34 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylhexoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 61257576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).