2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone

C14H19NO3 — CID 66262044

IUPAC2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESCCc1cccc(OCC(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C14H19NO3/c1-2-11-4-3-5-13(8-11)18-10-14(17)15-7-6-12(16)9-15/h3-5,8,12,16H,2,6-7,9-10H2,1H3/t12-/m1/s1
InChIKeyQOYCTXKTWOGUAZ-GFCCVEGCSA-N
MW249.31 g/mol
LogP1.22
Rot. Bonds4

About 2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone

2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 66262044) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
PubChem CID66262044
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESCCc1cccc(OCC(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C14H19NO3/c1-2-11-4-3-5-13(8-11)18-10-14(17)15-7-6-12(16)9-15/h3-5,8,12,16H,2,6-7,9-10H2,1H3/t12-/m1/s1
InChIKeyQOYCTXKTWOGUAZ-GFCCVEGCSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
CID 66262261
2-[3-[[4-[3-(aminomethyl)phenyl]piperidin-1-yl]methyl]phenoxy]-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 123491505
1-[2-(3-ethylphenoxy)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721723
2-(4-chloro-3-methylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66262530
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-ethylphenoxy)ethanone
CID 9218781
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid
CID 61398074
1-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 155499186
2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114677451
2-[3-(methylaminomethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 106485942
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(3-nitrophenoxy)ethanone
CID 107224214

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone (CID 66262044) is 2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone is CCc1cccc(OCC(=O)N2CC[C@@H](O)C2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is QOYCTXKTWOGUAZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-11-4-3-5-13(8-11)18-10-14(17)15-7-6-12(16)9-15/h3-5,8,12,16H,2,6-7,9-10H2,1H3/t12-/m1/s1.
What are the key properties of 2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone?
2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 66262044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).