[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol

C16H19NO3 — CID 61256704

IUPAC[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol
SMILESCCOc1ccc(Oc2nc(C)cc(C)c2CO)cc1
InChIInChI=1S/C16H19NO3/c1-4-19-13-5-7-14(8-6-13)20-16-15(10-18)11(2)9-12(3)17-16/h5-9,18H,4,10H2,1-3H3
InChIKeyKOBMJNBZOVTXSI-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.38
Rot. Bonds5

About [2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol

[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol (PubChem CID 61256704) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is [2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol
PubChem CID61256704
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol
SMILESCCOc1ccc(Oc2nc(C)cc(C)c2CO)cc1
InChIInChI=1S/C16H19NO3/c1-4-19-13-5-7-14(8-6-13)20-16-15(10-18)11(2)9-12(3)17-16/h5-9,18H,4,10H2,1-3H3
InChIKeyKOBMJNBZOVTXSI-UHFFFAOYSA-N
XLogP3.38
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol?
The IUPAC name of [2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol (CID 61256704) is [2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol?
The canonical SMILES for [2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol is CCOc1ccc(Oc2nc(C)cc(C)c2CO)cc1.
What is the InChIKey of [2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol?
The InChIKey is KOBMJNBZOVTXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-19-13-5-7-14(8-6-13)20-16-15(10-18)11(2)9-12(3)17-16/h5-9,18H,4,10H2,1-3H3.
What are the key properties of [2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol?
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol has a molecular weight of 273.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol is sourced from PubChem (CID 61256704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).