1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one

C14H19NO3 — CID 168702055

IUPAC1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one
SMILESCCOc1ccc(CCN2CC(O)CC2=O)cc1
InChIInChI=1S/C14H19NO3/c1-2-18-13-5-3-11(4-6-13)7-8-15-10-12(16)9-14(15)17/h3-6,12,16H,2,7-10H2,1H3
InChIKeyZIYRDKDTKCJAGE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.22
Rot. Bonds5

About 1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one

1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one (PubChem CID 168702055) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one
PubChem CID168702055
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one
SMILESCCOc1ccc(CCN2CC(O)CC2=O)cc1
InChIInChI=1S/C14H19NO3/c1-2-18-13-5-3-11(4-6-13)7-8-15-10-12(16)9-14(15)17/h3-6,12,16H,2,7-10H2,1H3
InChIKeyZIYRDKDTKCJAGE-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168701836
5-oxo-1-[2-(4-propoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 22682329
1-[2-(4-methoxyphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708660
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702309
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168702349
4-hydroxy-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168702962
1-(4-ethoxyphenyl)-4-hydroxypiperidin-2-one
CID 117014032
(3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 95147392
1-[2-[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22681640
5-oxo-1-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 22686439
(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 42210577

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one (CID 168702055) is 1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one is CCOc1ccc(CCN2CC(O)CC2=O)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is ZIYRDKDTKCJAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-18-13-5-3-11(4-6-13)7-8-15-10-12(16)9-14(15)17/h3-6,12,16H,2,7-10H2,1H3.
What are the key properties of 1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one?
1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).