3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol

C20H24F3NO4S — CID 18797539

IUPAC3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol
SMILESCCC(O)(CC)CCOc1ncc(C(F)(F)F)cc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C20H24F3NO4S/c1-4-19(25,5-2)9-10-28-18-17(12-15(13-24-18)20(21,22)23)14-7-6-8-16(11-14)29(3,26)27/h6-8,11-13,25H,4-5,9-10H2,1-3H3
InChIKeyDQCHGRVXJFNDFO-UHFFFAOYSA-N
MW431.48 g/mol
LogP4.49
Rot. Bonds8

About 3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol

3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol (PubChem CID 18797539) has the molecular formula C20H24F3NO4S and a molecular weight of 431.48 g/mol. Its IUPAC name is 3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol.

Molecular Properties

Compound Name3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol
PubChem CID18797539
Molecular FormulaC20H24F3NO4S
Molecular Weight431.48 g/mol
Exact Mass431.14
IUPAC Name3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol
SMILESCCC(O)(CC)CCOc1ncc(C(F)(F)F)cc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C20H24F3NO4S/c1-4-19(25,5-2)9-10-28-18-17(12-15(13-24-18)20(21,22)23)14-7-6-8-16(11-14)29(3,26)27/h6-8,11-13,25H,4-5,9-10H2,1-3H3
InChIKeyDQCHGRVXJFNDFO-UHFFFAOYSA-N
XLogP4.49
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol with MolForge

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Related Compounds

4-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl acetate
CID 18797524
O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl] 2-ethyl-2-hydroxybutanethioate
CID 18797540
3-(3-methylsulfonylphenyl)-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 19594576
2-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzoic acid
CID 172648599
(2R,3R)-3-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-ol
CID 15887868
N-(3-methylsulfonylphenyl)-2-phenoxy-5-(trifluoromethyl)pyridine-3-carboxamide
CID 150197509
2-(3-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)benzene
CID 16754445
N-[[4-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinolin-3-yl]methyl]ethanamine
CID 68878110
1-amino-2-methyl-4-(3-methylsulfonylphenoxy)butan-2-ol
CID 64815262
[2-(3-aminophenyl)-5-methylsulfonylphenyl]-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methanone
CID 166131575
N-(3-methylsulfonylphenyl)-2-[3-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 167197826
[2-propoxy-5-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 53216367

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol?
The IUPAC name of 3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol (CID 18797539) is 3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol.
What is the SMILES notation for 3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol?
The canonical SMILES for 3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol is CCC(O)(CC)CCOc1ncc(C(F)(F)F)cc1-c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol?
The InChIKey is DQCHGRVXJFNDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO4S/c1-4-19(25,5-2)9-10-28-18-17(12-15(13-24-18)20(21,22)23)14-7-6-8-16(11-14)29(3,26)27/h6-8,11-13,25H,4-5,9-10H2,1-3H3.
What are the key properties of 3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol?
3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol has a molecular weight of 431.48 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-3-ol is sourced from PubChem (CID 18797539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).