1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone

C15H20FNO2 — CID 113418142

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone
SMILESCCCC1CCN(CC(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C15H20FNO2/c1-2-3-11-6-7-17(9-11)10-15(19)13-8-12(16)4-5-14(13)18/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3
InChIKeyLLNKYSSTJUAKIR-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.84
Rot. Bonds5

About 1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone

1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone (PubChem CID 113418142) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone
PubChem CID113418142
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone
SMILESCCCC1CCN(CC(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C15H20FNO2/c1-2-3-11-6-7-17(9-11)10-15(19)13-8-12(16)4-5-14(13)18/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3
InChIKeyLLNKYSSTJUAKIR-UHFFFAOYSA-N
XLogP2.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170090
1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66392126
1-(5-fluoro-2-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626411
[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 114801111
1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634102
1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798467
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785
2-(4-aminopiperidin-1-yl)-1-(2,5-difluorophenyl)ethanone
CID 62029769
1-(2,4-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62942450
1-(4-fluorophenyl)-3-(4-propylpiperidin-1-yl)propan-2-one
CID 62206992
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2,5-difluorophenyl)ethanone
CID 43228979
(2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 62198513

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone (CID 113418142) is 1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone is CCCC1CCN(CC(=O)c2cc(F)ccc2O)C1.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone?
The InChIKey is LLNKYSSTJUAKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-3-11-6-7-17(9-11)10-15(19)13-8-12(16)4-5-14(13)18/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone has a molecular weight of 265.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 113418142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).