2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone

C16H23NO3 — CID 110023413

IUPAC2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCCc1ccccc1OCC(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C16H23NO3/c1-3-13-6-4-5-7-15(13)20-11-16(19)17-9-8-14(10-17)12(2)18/h4-7,12,14,18H,3,8-11H2,1-2H3
InChIKeySWIAXUUBIJPJFX-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.86
Rot. Bonds5

About 2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone

2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 110023413) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID110023413
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCCc1ccccc1OCC(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C16H23NO3/c1-3-13-6-4-5-7-15(13)20-11-16(19)17-9-8-14(10-17)12(2)18/h4-7,12,14,18H,3,8-11H2,1-2H3
InChIKeySWIAXUUBIJPJFX-UHFFFAOYSA-N
XLogP1.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 103822577
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
2-[2-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976
2-(2,5-dimethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115966187
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2-ethylphenoxy)ethanone;hydrochloride
CID 119635472
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 115966082
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124684295
2-(2-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555635
2-(2-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112623814
4-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 115965203

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 110023413) is 2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone is CCc1ccccc1OCC(=O)N1CCC(C(C)O)C1.
What is the InChIKey of 2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is SWIAXUUBIJPJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-13-6-4-5-7-15(13)20-11-16(19)17-9-8-14(10-17)12(2)18/h4-7,12,14,18H,3,8-11H2,1-2H3.
What are the key properties of 2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 277.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110023413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).