1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one

C22H26FNO4 — CID 10110762

IUPAC1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one
SMILESCOc1cccc(OCC2CN(CCCC(=O)c3ccc(F)cc3)CCO2)c1
InChIInChI=1S/C22H26FNO4/c1-26-19-4-2-5-20(14-19)28-16-21-15-24(12-13-27-21)11-3-6-22(25)17-7-9-18(23)10-8-17/h2,4-5,7-10,14,21H,3,6,11-13,15-16H2,1H3
InChIKeyYFTQNRHGWPTKFK-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.58
Rot. Bonds9

About 1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one

1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one (PubChem CID 10110762) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one
PubChem CID10110762
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one
SMILESCOc1cccc(OCC2CN(CCCC(=O)c3ccc(F)cc3)CCO2)c1
InChIInChI=1S/C22H26FNO4/c1-26-19-4-2-5-20(14-19)28-16-21-15-24(12-13-27-21)11-3-6-22(25)17-7-9-18(23)10-8-17/h2,4-5,7-10,14,21H,3,6,11-13,15-16H2,1H3
InChIKeyYFTQNRHGWPTKFK-UHFFFAOYSA-N
XLogP3.58
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-[(3S)-3-(3-methoxyphenoxy)pyrrolidin-1-yl]butan-1-one
CID 95560254
1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 46059317
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 67760392
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
CID 2893561
1-(4-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 64597984
3-[(4-ethylmorpholin-2-yl)methoxy]phenol
CID 79171875
(4-fluorophenyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 71955614
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
(2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine
CID 99979834
ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate
CID 99979464

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one (CID 10110762) is 1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one is COc1cccc(OCC2CN(CCCC(=O)c3ccc(F)cc3)CCO2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one?
The InChIKey is YFTQNRHGWPTKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-26-19-4-2-5-20(14-19)28-16-21-15-24(12-13-27-21)11-3-6-22(25)17-7-9-18(23)10-8-17/h2,4-5,7-10,14,21H,3,6,11-13,15-16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one?
1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one has a molecular weight of 387.45 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]butan-1-one is sourced from PubChem (CID 10110762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).