1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol

C14H20FNO4 — CID 106674262

IUPAC1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol
SMILESCOc1cccc(F)c1C(O)CCN1CC(O)C(O)C1
InChIInChI=1S/C14H20FNO4/c1-20-13-4-2-3-9(15)14(13)10(17)5-6-16-7-11(18)12(19)8-16/h2-4,10-12,17-19H,5-8H2,1H3
InChIKeyVLYPMCOKUWPRNU-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.30
Rot. Bonds5

About 1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol

1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol (PubChem CID 106674262) has the molecular formula C14H20FNO4 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol
PubChem CID106674262
Molecular FormulaC14H20FNO4
Molecular Weight285.31 g/mol
Exact Mass285.14
IUPAC Name1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol
SMILESCOc1cccc(F)c1C(O)CCN1CC(O)C(O)C1
InChIInChI=1S/C14H20FNO4/c1-20-13-4-2-3-9(15)14(13)10(17)5-6-16-7-11(18)12(19)8-16/h2-4,10-12,17-19H,5-8H2,1H3
InChIKeyVLYPMCOKUWPRNU-UHFFFAOYSA-N
XLogP0.30
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
CID 146455332
1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102967008
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
1-(2-fluoro-6-methoxyphenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 104554764
1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 116810226
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 63018085
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 65434086
3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol
CID 115838559
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol
CID 171269957
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 115803647

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol (CID 106674262) is 1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol is COc1cccc(F)c1C(O)CCN1CC(O)C(O)C1.
What is the InChIKey of 1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol?
The InChIKey is VLYPMCOKUWPRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4/c1-20-13-4-2-3-9(15)14(13)10(17)5-6-16-7-11(18)12(19)8-16/h2-4,10-12,17-19H,5-8H2,1H3.
What are the key properties of 1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol?
1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol has a molecular weight of 285.31 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-6-methoxyphenyl)-3-hydroxypropyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).