1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone

C20H22FNO4 — CID 132770875

IUPAC1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCOC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H22FNO4/c21-17-8-6-16(7-9-17)12-20(15-23)14-22(10-11-26-20)19(24)13-25-18-4-2-1-3-5-18/h1-9,23H,10-15H2
InChIKeyNPKNDNOXLORMFL-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.04
Rot. Bonds6

About 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone

1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone (PubChem CID 132770875) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
PubChem CID132770875
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCOC(CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H22FNO4/c21-17-8-6-16(7-9-17)12-20(15-23)14-22(10-11-26-20)19(24)13-25-18-4-2-1-3-5-18/h1-9,23H,10-15H2
InChIKeyNPKNDNOXLORMFL-UHFFFAOYSA-N
XLogP2.04
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770873
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 171699942
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 132770482
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 132777548
10-(2-phenoxyacetyl)-N-phenyl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
CID 171318572
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone
CID 132649139
(2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 92575352
3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
CID 132765032
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
3-(4-fluorophenyl)-2-methyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 110352181
4-(4-fluorophenyl)-8-(2-phenoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999582
10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
CID 171318573

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone (CID 132770875) is 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCOC(CO)(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone?
The InChIKey is NPKNDNOXLORMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c21-17-8-6-16(7-9-17)12-20(15-23)14-22(10-11-26-20)19(24)13-25-18-4-2-1-3-5-18/h1-9,23H,10-15H2.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone?
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone has a molecular weight of 359.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone is sourced from PubChem (CID 132770875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).