1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone

C15H20FNO3 — CID 43792786

IUPAC1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CN2CC(C)OC(C)C2)c1O
InChIInChI=1S/C15H20FNO3/c1-9-6-17(7-10(2)20-9)8-12-4-13(16)5-14(11(3)18)15(12)19/h4-5,9-10,19H,6-8H2,1-3H3
InChIKeyBGPVGPVXGAOJNE-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.34
Rot. Bonds3

About 1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone

1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone (PubChem CID 43792786) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
PubChem CID43792786
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CN2CC(C)OC(C)C2)c1O
InChIInChI=1S/C15H20FNO3/c1-9-6-17(7-10(2)20-9)8-12-4-13(16)5-14(11(3)18)15(12)19/h4-5,9-10,19H,6-8H2,1-3H3
InChIKeyBGPVGPVXGAOJNE-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone (CID 43792786) is 1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone is CC(=O)c1cc(F)cc(CN2CC(C)OC(C)C2)c1O.
What is the InChIKey of 1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The InChIKey is BGPVGPVXGAOJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-9-6-17(7-10(2)20-9)8-12-4-13(16)5-14(11(3)18)15(12)19/h4-5,9-10,19H,6-8H2,1-3H3.
What are the key properties of 1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone has a molecular weight of 281.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 43792786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).