1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one

C20H22FNO3 — CID 128972536

IUPAC1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CC(O)CC1c1cccc(F)c1
InChIInChI=1S/C20H22FNO3/c1-25-19-8-3-2-5-14(19)9-10-20(24)22-13-17(23)12-18(22)15-6-4-7-16(21)11-15/h2-8,11,17-18,23H,9-10,12-13H2,1H3
InChIKeyHDDXAGLQGCVKSO-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.10
Rot. Bonds5

About 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one

1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one (PubChem CID 128972536) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
PubChem CID128972536
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CC(O)CC1c1cccc(F)c1
InChIInChI=1S/C20H22FNO3/c1-25-19-8-3-2-5-14(19)9-10-20(24)22-13-17(23)12-18(22)15-6-4-7-16(21)11-15/h2-8,11,17-18,23H,9-10,12-13H2,1H3
InChIKeyHDDXAGLQGCVKSO-UHFFFAOYSA-N
XLogP3.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 100721362
3-(2-fluorophenoxy)-1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 128990222
2-(2,5-difluorophenyl)-1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 128965980
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 100721515
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 128964220
2-(3-fluorophenyl)-1-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 129481625
2-(3-fluorophenyl)-1-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 129481623
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-[3-(methoxymethyl)phenyl]ethanone
CID 128990037
2-(2,4-difluorophenyl)-1-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100739983
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 129481796
1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 100721376
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 100721400

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one (CID 128972536) is 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one is COc1ccccc1CCC(=O)N1CC(O)CC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The InChIKey is HDDXAGLQGCVKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-25-19-8-3-2-5-14(19)9-10-20(24)22-13-17(23)12-18(22)15-6-4-7-16(21)11-15/h2-8,11,17-18,23H,9-10,12-13H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one has a molecular weight of 343.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 128972536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).