1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol

C11H17NO2 — CID 170389360

IUPAC1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol
SMILESCC(O)COc1ccc(C(C)C)cn1
InChIInChI=1S/C11H17NO2/c1-8(2)10-4-5-11(12-6-10)14-7-9(3)13/h4-6,8-9,13H,7H2,1-3H3
InChIKeyHOEOYGUKCBSTKK-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.96
Rot. Bonds4

About 1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol

1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol (PubChem CID 170389360) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol
PubChem CID170389360
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol
SMILESCC(O)COc1ccc(C(C)C)cn1
InChIInChI=1S/C11H17NO2/c1-8(2)10-4-5-11(12-6-10)14-7-9(3)13/h4-6,8-9,13H,7H2,1-3H3
InChIKeyHOEOYGUKCBSTKK-UHFFFAOYSA-N
XLogP1.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol
CID 170402698
6-[(2R)-2-hydroxypropoxy]pyridine-3-carboxylic acid
CID 97034220
2-(dimethylphosphorylmethoxy)-5-propan-2-ylpyridine
CID 176650885
2-fluoro-5-[4-[(5-propan-2-yl-2-pyridinyl)oxy]butan-2-yl]pyridine
CID 167162269
1-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropan-1-ol
CID 15067080
2-methoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937935
2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine
CID 129028091
1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
CID 171606885
1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
CID 114938063
1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54298704
5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol
CID 114939064
3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
CID 170828157

Frequently Asked Questions

What is the IUPAC name of 1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol?
The IUPAC name of 1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol (CID 170389360) is 1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol.
What is the SMILES notation for 1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol?
The canonical SMILES for 1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol is CC(O)COc1ccc(C(C)C)cn1.
What is the InChIKey of 1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol?
The InChIKey is HOEOYGUKCBSTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)10-4-5-11(12-6-10)14-7-9(3)13/h4-6,8-9,13H,7H2,1-3H3.
What are the key properties of 1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol?
1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propan-2-yl-2-pyridinyl)oxy]propan-2-ol is sourced from PubChem (CID 170389360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).