1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone

C20H23NO4 — CID 46041088

IUPAC1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
SMILESCOc1ccc(OCC2CN(C(=O)Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C20H23NO4/c1-23-17-7-9-18(10-8-17)25-15-19-14-21(11-12-24-19)20(22)13-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3
InChIKeyHQVFLDIGLKKPDN-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.54
Rot. Bonds6

About 1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone

1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone (PubChem CID 46041088) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
PubChem CID46041088
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
SMILESCOc1ccc(OCC2CN(C(=O)Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C20H23NO4/c1-23-17-7-9-18(10-8-17)25-15-19-14-21(11-12-24-19)20(22)13-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3
InChIKeyHQVFLDIGLKKPDN-UHFFFAOYSA-N
XLogP2.54
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
CID 46100167
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-(4-methoxyphenyl)-1-[4-[[4-(2-phenoxyacetyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 42861902
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
1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 46059317
furan-3-yl-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 42861355
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
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
2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
CID 119247660

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone?
The IUPAC name of 1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone (CID 46041088) is 1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone is COc1ccc(OCC2CN(C(=O)Cc3ccccc3)CCO2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone?
The InChIKey is HQVFLDIGLKKPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-17-7-9-18(10-8-17)25-15-19-14-21(11-12-24-19)20(22)13-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3.
What are the key properties of 1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone?
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone has a molecular weight of 341.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone is sourced from PubChem (CID 46041088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).