[6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol

C18H20F3NO2 — CID 59678353

IUPAC[6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCCc1cccc(CC)c1-c1cc(OC)c(CO)c(C(F)(F)F)n1
InChIInChI=1S/C18H20F3NO2/c1-4-11-7-6-8-12(5-2)16(11)14-9-15(24-3)13(10-23)17(22-14)18(19,20)21/h6-9,23H,4-5,10H2,1-3H3
InChIKeyRYJZEYWMMDGRED-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.39
Rot. Bonds5

About [6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol

[6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 59678353) has the molecular formula C18H20F3NO2 and a molecular weight of 339.36 g/mol. Its IUPAC name is [6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID59678353
Molecular FormulaC18H20F3NO2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name[6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCCc1cccc(CC)c1-c1cc(OC)c(CO)c(C(F)(F)F)n1
InChIInChI=1S/C18H20F3NO2/c1-4-11-7-6-8-12(5-2)16(11)14-9-15(24-3)13(10-23)17(22-14)18(19,20)21/h6-9,23H,4-5,10H2,1-3H3
InChIKeyRYJZEYWMMDGRED-UHFFFAOYSA-N
XLogP4.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol (CID 59678353) is [6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol is CCc1cccc(CC)c1-c1cc(OC)c(CO)c(C(F)(F)F)n1.
What is the InChIKey of [6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is RYJZEYWMMDGRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2/c1-4-11-7-6-8-12(5-2)16(11)14-9-15(24-3)13(10-23)17(22-14)18(19,20)21/h6-9,23H,4-5,10H2,1-3H3.
What are the key properties of [6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol?
[6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 339.36 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,6-diethylphenyl)-4-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 59678353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).