3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol

C11H17NO2 — CID 105096914

IUPAC3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol
SMILESCCOCCC(O)c1ccc(C)nc1
InChIInChI=1S/C11H17NO2/c1-3-14-7-6-11(13)10-5-4-9(2)12-8-10/h4-5,8,11,13H,3,6-7H2,1-2H3
InChIKeyVAAFVHHCHYBBAM-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.85
Rot. Bonds5

About 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol

3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol (PubChem CID 105096914) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol
PubChem CID105096914
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol
SMILESCCOCCC(O)c1ccc(C)nc1
InChIInChI=1S/C11H17NO2/c1-3-14-7-6-11(13)10-5-4-9(2)12-8-10/h4-5,8,11,13H,3,6-7H2,1-2H3
InChIKeyVAAFVHHCHYBBAM-UHFFFAOYSA-N
XLogP1.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol
CID 104823060
3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol
CID 104823063
4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 105096922
4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 105146367
3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 54122472
cumene;ethane;1-ethoxypropane;2-methyl-5-propan-2-ylpyridine
CID 160646810
1-(6-methyl-3-pyridinyl)oct-7-en-1-ol
CID 107012151
1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol
CID 115609857
3-(2-methoxyethoxy)-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 102927840
(6-methyl-3-pyridinyl)-(4-propoxyphenyl)methanol
CID 63895736
[3-(2-methoxyethoxy)-1-(6-methyl-3-pyridinyl)propyl]hydrazine
CID 102929761
2-ethoxy-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 116752175

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol?
The IUPAC name of 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol (CID 105096914) is 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol?
The canonical SMILES for 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol is CCOCCC(O)c1ccc(C)nc1.
What is the InChIKey of 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol?
The InChIKey is VAAFVHHCHYBBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-14-7-6-11(13)10-5-4-9(2)12-8-10/h4-5,8,11,13H,3,6-7H2,1-2H3.
What are the key properties of 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol?
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 105096914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).