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

C20H22FNO4 — CID 132770873

IUPAC1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCOC(CO)(Cc2ccccc2F)C1
InChIInChI=1S/C20H22FNO4/c21-18-9-5-4-6-16(18)12-20(15-23)14-22(10-11-26-20)19(24)13-25-17-7-2-1-3-8-17/h1-9,23H,10-15H2
InChIKeyIQSVWEADWSYTHM-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.04
Rot. Bonds6

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

1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone (PubChem CID 132770873) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
PubChem CID132770873
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCOC(CO)(Cc2ccccc2F)C1
InChIInChI=1S/C20H22FNO4/c21-18-9-5-4-6-16(18)12-20(15-23)14-22(10-11-26-20)19(24)13-25-17-7-2-1-3-8-17/h1-9,23H,10-15H2
InChIKeyIQSVWEADWSYTHM-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-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 132770482
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-(2-methoxyphenyl)ethanone
CID 132777548
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone
CID 110602312
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 132765075
[2-[(2-fluorophenyl)methyl]-4-[(3-methyl-4-pyridinyl)methyl]morpholin-2-yl]methanol
CID 132764204
10-(2-phenoxyacetyl)-N-pyridin-3-yl-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
CID 171318573
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
2-phenoxy-1-[10-(1,3-thiazol-5-ylmethyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]ethanone
CID 171318576
2-(4-chlorophenoxy)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412047

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone (CID 132770873) is 1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCOC(CO)(Cc2ccccc2F)C1.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone?
The InChIKey is IQSVWEADWSYTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c21-18-9-5-4-6-16(18)12-20(15-23)14-22(10-11-26-20)19(24)13-25-17-7-2-1-3-8-17/h1-9,23H,10-15H2.
What are the key properties of 1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone?
1-[2-[(2-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-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone is sourced from PubChem (CID 132770873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).