2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone

C20H22FNO4 — CID 129316369

IUPAC2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
SMILESCc1ccc(OCC2CN(C(=O)COc3ccc(F)cc3)CCO2)cc1
InChIInChI=1S/C20H22FNO4/c1-15-2-6-17(7-3-15)25-13-19-12-22(10-11-24-19)20(23)14-26-18-8-4-16(21)5-9-18/h2-9,19H,10-14H2,1H3
InChIKeyOPHCHHJLFAQLPS-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.82
Rot. Bonds6

About 2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone

2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone (PubChem CID 129316369) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
PubChem CID129316369
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
SMILESCc1ccc(OCC2CN(C(=O)COc3ccc(F)cc3)CCO2)cc1
InChIInChI=1S/C20H22FNO4/c1-15-2-6-17(7-3-15)25-13-19-12-22(10-11-24-19)20(23)14-26-18-8-4-16(21)5-9-18/h2-9,19H,10-14H2,1H3
InChIKeyOPHCHHJLFAQLPS-UHFFFAOYSA-N
XLogP2.82
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46041076
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
(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100398
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 46100350
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
2-[4-(4-fluorobenzoyl)phenoxy]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 30036278
3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81209418
ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate
CID 99979464

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone (CID 129316369) is 2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone is Cc1ccc(OCC2CN(C(=O)COc3ccc(F)cc3)CCO2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone?
The InChIKey is OPHCHHJLFAQLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-15-2-6-17(7-3-15)25-13-19-12-22(10-11-24-19)20(23)14-26-18-8-4-16(21)5-9-18/h2-9,19H,10-14H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone?
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone has a molecular weight of 359.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 129316369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).