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

C16H22FNO3 — CID 61424395

IUPAC1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
SMILESCCC1COC(C)CN1Cc1cc(F)cc(C(C)=O)c1O
InChIInChI=1S/C16H22FNO3/c1-4-14-9-21-10(2)7-18(14)8-12-5-13(17)6-15(11(3)19)16(12)20/h5-6,10,14,20H,4,7-9H2,1-3H3
InChIKeyBIZSORJUNPTMOU-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.73
Rot. Bonds4

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

1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone (PubChem CID 61424395) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
PubChem CID61424395
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
SMILESCCC1COC(C)CN1Cc1cc(F)cc(C(C)=O)c1O
InChIInChI=1S/C16H22FNO3/c1-4-14-9-21-10(2)7-18(14)8-12-5-13(17)6-15(11(3)19)16(12)20/h5-6,10,14,20H,4,7-9H2,1-3H3
InChIKeyBIZSORJUNPTMOU-UHFFFAOYSA-N
XLogP2.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.73
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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Related Compounds

2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 107907776
1-[5-fluoro-2-hydroxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]ethanone
CID 62974337
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol
CID 112616028
2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 61424347
methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
CID 82969020
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82974433
3-chloro-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoic acid
CID 102669918
methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate
CID 103749215
1-[5-fluoro-2-hydroxy-3-[[2-(1-hydroxypropyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 111858361
1-[3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
CID 62030724
1-[5-fluoro-2-hydroxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 55028009
1-[3-[[4-(dimethylamino)piperidin-1-yl]methyl]-5-fluoro-2-hydroxyphenyl]ethanone
CID 43793182

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone (CID 61424395) is 1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone is CCC1COC(C)CN1Cc1cc(F)cc(C(C)=O)c1O.
What is the InChIKey of 1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
The InChIKey is BIZSORJUNPTMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-4-14-9-21-10(2)7-18(14)8-12-5-13(17)6-15(11(3)19)16(12)20/h5-6,10,14,20H,4,7-9H2,1-3H3.
What are the key properties of 1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone?
1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone has a molecular weight of 295.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 61424395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).