2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone

C14H19NO3 — CID 43504036

IUPAC2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCC(O)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C14H19NO3/c1-11(16)12-6-2-3-7-13(12)18-10-14(17)15-8-4-5-9-15/h2-3,6-7,11,16H,4-5,8-10H2,1H3
InChIKeyGUSRYEPBGDVUGR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.74
Rot. Bonds4

About 2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone

2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 43504036) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID43504036
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCC(O)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C14H19NO3/c1-11(16)12-6-2-3-7-13(12)18-10-14(17)15-8-4-5-9-15/h2-3,6-7,11,16H,4-5,8-10H2,1H3
InChIKeyGUSRYEPBGDVUGR-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
CID 78930779
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 78932602
1-(azepan-1-yl)-2-[5-bromo-2-(1-hydroxyethyl)phenoxy]ethanone
CID 102948266
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylethanone
CID 63365992
1-(azepan-1-yl)-2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]ethanone
CID 63364408
1-(azepan-1-yl)-2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]ethanone
CID 78933520
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone
CID 82002837
2-methoxy-N-[(1S)-1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 94620134
2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86891172
1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 39376391

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone (CID 43504036) is 2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone is CC(O)c1ccccc1OCC(=O)N1CCCC1.
What is the InChIKey of 2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is GUSRYEPBGDVUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(16)12-6-2-3-7-13(12)18-10-14(17)15-8-4-5-9-15/h2-3,6-7,11,16H,4-5,8-10H2,1H3.
What are the key properties of 2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone?
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 249.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43504036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).