(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol

C15H22FNO3 — CID 104969871

IUPAC(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H22FNO3/c1-10(19)13-6-11(16)4-5-14(13)17-7-12(8-18)20-15(2,3)9-17/h4-6,10,12,18-19H,7-9H2,1-3H3/t10-,12?/m0/s1
InChIKeyYXXHNXLLKFBRPQ-NUHJPDEHSA-N
MW283.34 g/mol
LogP1.86
Rot. Bonds3

About (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol

(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol (PubChem CID 104969871) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
PubChem CID104969871
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H22FNO3/c1-10(19)13-6-11(16)4-5-14(13)17-7-12(8-18)20-15(2,3)9-17/h4-6,10,12,18-19H,7-9H2,1-3H3/t10-,12?/m0/s1
InChIKeyYXXHNXLLKFBRPQ-NUHJPDEHSA-N
XLogP1.86
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methylphenyl]ethanol
CID 104969884
5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarbothioamide
CID 114776979
1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
CID 114777393
1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626307
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-methylbenzaldehyde
CID 114054264
[4-[(4-fluoro-2-methylphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779732
[4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779373
[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777236
[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776297
1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol
CID 81097570
[4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779730
1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone
CID 114777207

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol (CID 104969871) is (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol is C[C@H](O)c1cc(F)ccc1N1CC(CO)OC(C)(C)C1.
What is the InChIKey of (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol?
The InChIKey is YXXHNXLLKFBRPQ-NUHJPDEHSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-10(19)13-6-11(16)4-5-14(13)17-7-12(8-18)20-15(2,3)9-17/h4-6,10,12,18-19H,7-9H2,1-3H3/t10-,12?/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol?
(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol has a molecular weight of 283.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol is sourced from PubChem (CID 104969871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).