1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol

C13H18FNO3 — CID 114059212

IUPAC1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
SMILESCC(O)c1cccc(F)c1N1CCOC(CO)C1
InChIInChI=1S/C13H18FNO3/c1-9(17)11-3-2-4-12(14)13(11)15-5-6-18-10(7-15)8-16/h2-4,9-10,16-17H,5-8H2,1H3
InChIKeyVSEUAHFEYPGFPG-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.08
Rot. Bonds3

About 1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol

1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol (PubChem CID 114059212) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
PubChem CID114059212
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
SMILESCC(O)c1cccc(F)c1N1CCOC(CO)C1
InChIInChI=1S/C13H18FNO3/c1-9(17)11-3-2-4-12(14)13(11)15-5-6-18-10(7-15)8-16/h2-4,9-10,16-17H,5-8H2,1H3
InChIKeyVSEUAHFEYPGFPG-UHFFFAOYSA-N
XLogP1.08
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 114059166
(1R)-1-[3-fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 114059080
1-[2-fluoro-6-(1-hydroxyethyl)phenyl]pyrrolidine-3,4-diol
CID 114059264
[4-[2-(1-aminoethyl)phenyl]morpholin-2-yl]methanol
CID 81204899
(1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
CID 114059063
(1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol
CID 114059199
1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol
CID 175324243
1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 114059102
[(2S)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 162439692
[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 166940465
[4-(2,3-difluoro-6-nitrophenyl)morpholin-2-yl]methanol
CID 81219753
[4-[2-amino-1-(3-fluorophenyl)propyl]morpholin-2-yl]methanol
CID 81205350

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol (CID 114059212) is 1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol is CC(O)c1cccc(F)c1N1CCOC(CO)C1.
What is the InChIKey of 1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol?
The InChIKey is VSEUAHFEYPGFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9(17)11-3-2-4-12(14)13(11)15-5-6-18-10(7-15)8-16/h2-4,9-10,16-17H,5-8H2,1H3.
What are the key properties of 1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol?
1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol has a molecular weight of 255.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol is sourced from PubChem (CID 114059212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).