1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol

C13H18FNO2 — CID 112626307

IUPAC1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
SMILESCC(O)c1cc(F)ccc1N1CCC(CO)C1
InChIInChI=1S/C13H18FNO2/c1-9(17)12-6-11(14)2-3-13(12)15-5-4-10(7-15)8-16/h2-3,6,9-10,16-17H,4-5,7-8H2,1H3
InChIKeyMYUXDIUKEMBCQX-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.70
Rot. Bonds3

About 1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol

1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol (PubChem CID 112626307) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
PubChem CID112626307
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
SMILESCC(O)c1cc(F)ccc1N1CCC(CO)C1
InChIInChI=1S/C13H18FNO2/c1-9(17)12-6-11(14)2-3-13(12)15-5-4-10(7-15)8-16/h2-3,6,9-10,16-17H,4-5,7-8H2,1H3
InChIKeyMYUXDIUKEMBCQX-UHFFFAOYSA-N
XLogP1.70
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol
CID 112625992
1-[5-fluoro-2-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227955
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 61226994
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 103942831
2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372745
(1R)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 55183365
5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 112626066
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626558
(1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
CID 78939196
(1R)-1-[2-[4-(dimethylamino)piperidin-1-yl]-5-fluorophenyl]ethanol
CID 55184659
1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol
CID 55216386
1-[3-bromo-4-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626299

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol (CID 112626307) is 1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol is CC(O)c1cc(F)ccc1N1CCC(CO)C1.
What is the InChIKey of 1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
The InChIKey is MYUXDIUKEMBCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(17)12-6-11(14)2-3-13(12)15-5-4-10(7-15)8-16/h2-3,6,9-10,16-17H,4-5,7-8H2,1H3.
What are the key properties of 1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol has a molecular weight of 239.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 112626307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).