1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone

C13H16FNO3 — CID 43794545

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)c2cc(F)ccc2O)CCO1
InChIInChI=1S/C13H16FNO3/c1-9-7-15(4-5-18-9)8-13(17)11-6-10(14)2-3-12(11)16/h2-3,6,9,16H,4-5,7-8H2,1H3
InChIKeyAMIIWRMINXETSY-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.43
Rot. Bonds3

About 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone

1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone (PubChem CID 43794545) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone
PubChem CID43794545
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)c2cc(F)ccc2O)CCO1
InChIInChI=1S/C13H16FNO3/c1-9-7-15(4-5-18-9)8-13(17)11-6-10(14)2-3-12(11)16/h2-3,6,9,16H,4-5,7-8H2,1H3
InChIKeyAMIIWRMINXETSY-UHFFFAOYSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone (CID 43794545) is 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone is CC1CN(CC(=O)c2cc(F)ccc2O)CCO1.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is AMIIWRMINXETSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9-7-15(4-5-18-9)8-13(17)11-6-10(14)2-3-12(11)16/h2-3,6,9,16H,4-5,7-8H2,1H3.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 253.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43794545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).