3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine

C16H25NO2 — CID 122414790

IUPAC3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine
SMILESCCc1ccc(OC2CC(C)(C)N(O)C2(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-6-12-7-9-13(10-8-12)19-14-11-15(2,3)17(18)16(14,4)5/h7-10,14,18H,6,11H2,1-5H3
InChIKeyNSRGQTHWYNCACG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.65
Rot. Bonds3

About 3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine

3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine (PubChem CID 122414790) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine.

Molecular Properties

Compound Name3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine
PubChem CID122414790
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine
SMILESCCc1ccc(OC2CC(C)(C)N(O)C2(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-6-12-7-9-13(10-8-12)19-14-11-15(2,3)17(18)16(14,4)5/h7-10,14,18H,6,11H2,1-5H3
InChIKeyNSRGQTHWYNCACG-UHFFFAOYSA-N
XLogP3.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine?
The IUPAC name of 3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine (CID 122414790) is 3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine.
What is the SMILES notation for 3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine?
The canonical SMILES for 3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine is CCc1ccc(OC2CC(C)(C)N(O)C2(C)C)cc1.
What is the InChIKey of 3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine?
The InChIKey is NSRGQTHWYNCACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-12-7-9-13(10-8-12)19-14-11-15(2,3)17(18)16(14,4)5/h7-10,14,18H,6,11H2,1-5H3.
What are the key properties of 3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine?
3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine has a molecular weight of 263.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine is sourced from PubChem (CID 122414790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).