[2-(2-tert-butylphenoxy)-3-pyridinyl]methanol

C16H19NO2 — CID 61255865

IUPAC[2-(2-tert-butylphenoxy)-3-pyridinyl]methanol
SMILESCC(C)(C)c1ccccc1Oc1ncccc1CO
InChIInChI=1S/C16H19NO2/c1-16(2,3)13-8-4-5-9-14(13)19-15-12(11-18)7-6-10-17-15/h4-10,18H,11H2,1-3H3
InChIKeyFQBAKIZIWFCVPW-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.66
Rot. Bonds3

About [2-(2-tert-butylphenoxy)-3-pyridinyl]methanol

[2-(2-tert-butylphenoxy)-3-pyridinyl]methanol (PubChem CID 61255865) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [2-(2-tert-butylphenoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2-tert-butylphenoxy)-3-pyridinyl]methanol
PubChem CID61255865
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[2-(2-tert-butylphenoxy)-3-pyridinyl]methanol
SMILESCC(C)(C)c1ccccc1Oc1ncccc1CO
InChIInChI=1S/C16H19NO2/c1-16(2,3)13-8-4-5-9-14(13)19-15-12(11-18)7-6-10-17-15/h4-10,18H,11H2,1-3H3
InChIKeyFQBAKIZIWFCVPW-UHFFFAOYSA-N
XLogP3.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-tert-butylphenoxy)-3-pyridinyl]methanol?
The IUPAC name of [2-(2-tert-butylphenoxy)-3-pyridinyl]methanol (CID 61255865) is [2-(2-tert-butylphenoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(2-tert-butylphenoxy)-3-pyridinyl]methanol?
The canonical SMILES for [2-(2-tert-butylphenoxy)-3-pyridinyl]methanol is CC(C)(C)c1ccccc1Oc1ncccc1CO.
What is the InChIKey of [2-(2-tert-butylphenoxy)-3-pyridinyl]methanol?
The InChIKey is FQBAKIZIWFCVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2,3)13-8-4-5-9-14(13)19-15-12(11-18)7-6-10-17-15/h4-10,18H,11H2,1-3H3.
What are the key properties of [2-(2-tert-butylphenoxy)-3-pyridinyl]methanol?
[2-(2-tert-butylphenoxy)-3-pyridinyl]methanol has a molecular weight of 257.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-tert-butylphenoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 61255865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).