1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone

C15H20FNO3 — CID 43793095

IUPAC1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
SMILESCCC1CN(Cc2cc(F)cc(C(C)=O)c2O)CCO1
InChIInChI=1S/C15H20FNO3/c1-3-13-9-17(4-5-20-13)8-11-6-12(16)7-14(10(2)18)15(11)19/h6-7,13,19H,3-5,8-9H2,1-2H3
InChIKeyQAFYVDCFSZNTKI-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.34
Rot. Bonds4

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

1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone (PubChem CID 43793095) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
PubChem CID43793095
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
SMILESCCC1CN(Cc2cc(F)cc(C(C)=O)c2O)CCO1
InChIInChI=1S/C15H20FNO3/c1-3-13-9-17(4-5-20-13)8-11-6-12(16)7-14(10(2)18)15(11)19/h6-7,13,19H,3-5,8-9H2,1-2H3
InChIKeyQAFYVDCFSZNTKI-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone (CID 43793095) is 1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone is CCC1CN(Cc2cc(F)cc(C(C)=O)c2O)CCO1.
What is the InChIKey of 1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The InChIKey is QAFYVDCFSZNTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-13-9-17(4-5-20-13)8-11-6-12(16)7-14(10(2)18)15(11)19/h6-7,13,19H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone has a molecular weight of 281.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-ethylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 43793095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).