1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol

C23H36N2O2 — CID 159930912

IUPAC1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol
SMILESCC(C)(C)c1ncccc1C(C)(C)O.CC(O)c1cccnc1C(C)(C)C
InChIInChI=1S/C12H19NO.C11H17NO/c1-11(2,3)10-9(12(4,5)14)7-6-8-13-10;1-8(13)9-6-5-7-12-10(9)11(2,3)4/h6-8,14H,1-5H3;5-8,13H,1-4H3
InChIKeyNZPWXAUMPCFPQA-UHFFFAOYSA-N
MW372.55 g/mol
LogP5.04
Rot. Bonds2

About 1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol

1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol (PubChem CID 159930912) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol
PubChem CID159930912
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol
SMILESCC(C)(C)c1ncccc1C(C)(C)O.CC(O)c1cccnc1C(C)(C)C
InChIInChI=1S/C12H19NO.C11H17NO/c1-11(2,3)10-9(12(4,5)14)7-6-8-13-10;1-8(13)9-6-5-7-12-10(9)11(2,3)4/h6-8,14H,1-5H3;5-8,13H,1-4H3
InChIKeyNZPWXAUMPCFPQA-UHFFFAOYSA-N
XLogP5.04
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol?
The IUPAC name of 1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol (CID 159930912) is 1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol is CC(C)(C)c1ncccc1C(C)(C)O.CC(O)c1cccnc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol?
The InChIKey is NZPWXAUMPCFPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C11H17NO/c1-11(2,3)10-9(12(4,5)14)7-6-8-13-10;1-8(13)9-6-5-7-12-10(9)11(2,3)4/h6-8,14H,1-5H3;5-8,13H,1-4H3.
What are the key properties of 1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol?
1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol has a molecular weight of 372.55 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 159930912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).