2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone

C18H18FNO3 — CID 110158922

IUPAC2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1
InChIInChI=1S/C18H18FNO3/c19-14-8-6-13(7-9-14)10-18(22)20-11-16(21)17(12-20)23-15-4-2-1-3-5-15/h1-9,16-17,21H,10-12H2/t16-,17-/m1/s1
InChIKeyDLYLKQBDLJOKQY-IAGOWNOFSA-N
MW315.34 g/mol
LogP2.02
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone (PubChem CID 110158922) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone
PubChem CID110158922
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1
InChIInChI=1S/C18H18FNO3/c19-14-8-6-13(7-9-14)10-18(22)20-11-16(21)17(12-20)23-15-4-2-1-3-5-15/h1-9,16-17,21H,10-12H2/t16-,17-/m1/s1
InChIKeyDLYLKQBDLJOKQY-IAGOWNOFSA-N
XLogP2.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one
CID 110158923
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone
CID 110159728
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631
2-(4-ethylpiperazin-1-yl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone
CID 110159734
2-(4-fluorophenyl)-1-(3-pyridin-2-yloxyazetidin-1-yl)ethanone
CID 122247174
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-[4-[(4-fluorophenyl)methylamino]phenyl]ethanone
CID 170160383
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974
[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110145191
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
2-(2-ethylimidazol-1-yl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone
CID 110147062

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone (CID 110158922) is 2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone?
The InChIKey is DLYLKQBDLJOKQY-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-14-8-6-13(7-9-14)10-18(22)20-11-16(21)17(12-20)23-15-4-2-1-3-5-15/h1-9,16-17,21H,10-12H2/t16-,17-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone has a molecular weight of 315.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110158922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).