1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one

C12H14FNO3 — CID 168702045

IUPAC1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one
SMILESCCOc1cc(F)ccc1N1CC(O)CC1=O
InChIInChI=1S/C12H14FNO3/c1-2-17-11-5-8(13)3-4-10(11)14-7-9(15)6-12(14)16/h3-5,9,15H,2,6-7H2,1H3
InChIKeyCFFXEFZFJFVKOV-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.32
Rot. Bonds3

About 1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one

1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168702045) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168702045
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one
SMILESCCOc1cc(F)ccc1N1CC(O)CC1=O
InChIInChI=1S/C12H14FNO3/c1-2-17-11-5-8(13)3-4-10(11)14-7-9(15)6-12(14)16/h3-5,9,15H,2,6-7H2,1H3
InChIKeyCFFXEFZFJFVKOV-UHFFFAOYSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
CID 168659342
4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
CID 168684186
1-(2-ethoxy-4-fluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168500548
methyl 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702189
S-[[1-(4-fluoro-2-propoxyphenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666449
1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168702047
4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703309
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
(3R)-N-(2,5-difluorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40942309
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46404018
ethyl 1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874002

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one (CID 168702045) is 1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one is CCOc1cc(F)ccc1N1CC(O)CC1=O.
What is the InChIKey of 1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is CFFXEFZFJFVKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-2-17-11-5-8(13)3-4-10(11)14-7-9(15)6-12(14)16/h3-5,9,15H,2,6-7H2,1H3.
What are the key properties of 1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one?
1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 239.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).