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

C10H15NO2 — CID 170402698

IUPAC1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol
SMILESCCc1ccc(OCC(C)O)nc1
InChIInChI=1S/C10H15NO2/c1-3-9-4-5-10(11-6-9)13-7-8(2)12/h4-6,8,12H,3,7H2,1-2H3
InChIKeyPLCXPLMKPHFVRE-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.40
Rot. Bonds4

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

1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol (PubChem CID 170402698) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol
PubChem CID170402698
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol
SMILESCCc1ccc(OCC(C)O)nc1
InChIInChI=1S/C10H15NO2/c1-3-9-4-5-10(11-6-9)13-7-8(2)12/h4-6,8,12H,3,7H2,1-2H3
InChIKeyPLCXPLMKPHFVRE-UHFFFAOYSA-N
XLogP1.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol (CID 170402698) is 1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol is CCc1ccc(OCC(C)O)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol?
The InChIKey is PLCXPLMKPHFVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-9-4-5-10(11-6-9)13-7-8(2)12/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of 1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol?
1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol has a molecular weight of 181.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-pyridinyl)oxy]propan-2-ol is sourced from PubChem (CID 170402698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).