1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

C22H26FNO6 — CID 46100350

IUPAC1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(CC(=O)N2CCOC(COc3ccc(F)cc3)C2)cc(OC)c1OC
InChIInChI=1S/C22H26FNO6/c1-26-19-10-15(11-20(27-2)22(19)28-3)12-21(25)24-8-9-29-18(13-24)14-30-17-6-4-16(23)5-7-17/h4-7,10-11,18H,8-9,12-14H2,1-3H3
InChIKeyUYKVDEAADYOWMH-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.70
Rot. Bonds8

About 1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 46100350) has the molecular formula C22H26FNO6 and a molecular weight of 419.45 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID46100350
Molecular FormulaC22H26FNO6
Molecular Weight419.45 g/mol
Exact Mass419.17
IUPAC Name1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(CC(=O)N2CCOC(COc3ccc(F)cc3)C2)cc(OC)c1OC
InChIInChI=1S/C22H26FNO6/c1-26-19-10-15(11-20(27-2)22(19)28-3)12-21(25)24-8-9-29-18(13-24)14-30-17-6-4-16(23)5-7-17/h4-7,10-11,18H,8-9,12-14H2,1-3H3
InChIKeyUYKVDEAADYOWMH-UHFFFAOYSA-N
XLogP2.70
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
CID 46100167
1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 46100361
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 92757982
2-(2,6-difluorophenyl)-1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46100170
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369
1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 46100107
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 3847500
1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-(3-bromo-4-methoxyphenyl)ethanone
CID 3697779
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone (CID 46100350) is 1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone is COc1cc(CC(=O)N2CCOC(COc3ccc(F)cc3)C2)cc(OC)c1OC.
What is the InChIKey of 1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is UYKVDEAADYOWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO6/c1-26-19-10-15(11-20(27-2)22(19)28-3)12-21(25)24-8-9-29-18(13-24)14-30-17-6-4-16(23)5-7-17/h4-7,10-11,18H,8-9,12-14H2,1-3H3.
What are the key properties of 1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 419.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 46100350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).