[4-(2-ethylhexoxy)-3-pyridinyl]methanol

C14H23NO2 — CID 81238636

IUPAC[4-(2-ethylhexoxy)-3-pyridinyl]methanol
SMILESCCCCC(CC)COc1ccncc1CO
InChIInChI=1S/C14H23NO2/c1-3-5-6-12(4-2)11-17-14-7-8-15-9-13(14)10-16/h7-9,12,16H,3-6,10-11H2,1-2H3
InChIKeyILFUDOBBQXGBNB-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.17
Rot. Bonds8

About [4-(2-ethylhexoxy)-3-pyridinyl]methanol

[4-(2-ethylhexoxy)-3-pyridinyl]methanol (PubChem CID 81238636) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [4-(2-ethylhexoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(2-ethylhexoxy)-3-pyridinyl]methanol
PubChem CID81238636
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[4-(2-ethylhexoxy)-3-pyridinyl]methanol
SMILESCCCCC(CC)COc1ccncc1CO
InChIInChI=1S/C14H23NO2/c1-3-5-6-12(4-2)11-17-14-7-8-15-9-13(14)10-16/h7-9,12,16H,3-6,10-11H2,1-2H3
InChIKeyILFUDOBBQXGBNB-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

[2-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 61257576
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
[5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087264
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine
CID 63485344
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
3-(2-ethylhexoxy)-4-methylthiophene
CID 23049597
1-(2-ethylhexoxy)-2-iodobenzene
CID 63531465
[4-(2-ethylhexoxy)-3-methylphenyl]boronic acid
CID 63549557
CID 151703747
CID 151703747
(4-butyl-3-pyridinyl)methanol
CID 173058896

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylhexoxy)-3-pyridinyl]methanol?
The IUPAC name of [4-(2-ethylhexoxy)-3-pyridinyl]methanol (CID 81238636) is [4-(2-ethylhexoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(2-ethylhexoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4-(2-ethylhexoxy)-3-pyridinyl]methanol is CCCCC(CC)COc1ccncc1CO.
What is the InChIKey of [4-(2-ethylhexoxy)-3-pyridinyl]methanol?
The InChIKey is ILFUDOBBQXGBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-6-12(4-2)11-17-14-7-8-15-9-13(14)10-16/h7-9,12,16H,3-6,10-11H2,1-2H3.
What are the key properties of [4-(2-ethylhexoxy)-3-pyridinyl]methanol?
[4-(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 [4-(2-ethylhexoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 81238636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).