1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

C23H28FNO6 — CID 46100361

IUPAC1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(CC(=O)N2CCOC(COCc3ccccc3F)C2)cc(OC)c1OC
InChIInChI=1S/C23H28FNO6/c1-27-20-10-16(11-21(28-2)23(20)29-3)12-22(26)25-8-9-31-18(13-25)15-30-14-17-6-4-5-7-19(17)24/h4-7,10-11,18H,8-9,12-15H2,1-3H3
InChIKeyATNANJCSCGBPCC-UHFFFAOYSA-N
MW433.48 g/mol
LogP2.84
Rot. Bonds9

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

1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 46100361) has the molecular formula C23H28FNO6 and a molecular weight of 433.48 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID46100361
Molecular FormulaC23H28FNO6
Molecular Weight433.48 g/mol
Exact Mass433.19
IUPAC Name1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(CC(=O)N2CCOC(COCc3ccccc3F)C2)cc(OC)c1OC
InChIInChI=1S/C23H28FNO6/c1-27-20-10-16(11-21(28-2)23(20)29-3)12-22(26)25-8-9-31-18(13-25)15-30-14-17-6-4-5-7-19(17)24/h4-7,10-11,18H,8-9,12-15H2,1-3H3
InChIKeyATNANJCSCGBPCC-UHFFFAOYSA-N
XLogP2.84
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 46100350
1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 46100107
2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
CID 46100167
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-(3-bromo-4-methoxyphenyl)ethanone
CID 3697779
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119412512
2-(2,6-difluorophenyl)-1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46100170
2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 92757982
[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-(3-fluoro-2-methoxyphenyl)methanone
CID 95552061
1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 42462570
2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966246
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone (CID 46100361) is 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone is COc1cc(CC(=O)N2CCOC(COCc3ccccc3F)C2)cc(OC)c1OC.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is ATNANJCSCGBPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO6/c1-27-20-10-16(11-21(28-2)23(20)29-3)12-22(26)25-8-9-31-18(13-25)15-30-14-17-6-4-5-7-19(17)24/h4-7,10-11,18H,8-9,12-15H2,1-3H3.
What are the key properties of 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone?
1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 433.48 g/mol, XLogP of 2.84, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 46100361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).