2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone

C18H19NO3 — CID 110728348

IUPAC2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
SMILESO=C(COc1ccccc1)N1CCOCC1c1ccccc1
InChIInChI=1S/C18H19NO3/c20-18(14-22-16-9-5-2-6-10-16)19-11-12-21-13-17(19)15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyWNQKSOLORXHWPI-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.67
Rot. Bonds4

About 2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone

2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone (PubChem CID 110728348) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
PubChem CID110728348
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
SMILESO=C(COc1ccccc1)N1CCOCC1c1ccccc1
InChIInChI=1S/C18H19NO3/c20-18(14-22-16-9-5-2-6-10-16)19-11-12-21-13-17(19)15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyWNQKSOLORXHWPI-UHFFFAOYSA-N
XLogP2.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119337230
2-(2-fluorophenoxy)-1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663877
2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 97256182
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
2-(2-fluorophenyl)-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728374
1-(3-phenylmorpholin-4-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 71993259
2-(4-methylphenoxy)-1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]ethanone
CID 131654980
2,3,5-trimethyl-6-[[4-(2-phenoxyacetyl)morpholin-3-yl]methyl]cyclohexa-2,5-diene-1,4-dione
CID 139821813
(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513443
N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide
CID 110748599
2-naphthalen-2-yloxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331604

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone?
The IUPAC name of 2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone (CID 110728348) is 2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone is O=C(COc1ccccc1)N1CCOCC1c1ccccc1.
What is the InChIKey of 2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone?
The InChIKey is WNQKSOLORXHWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-18(14-22-16-9-5-2-6-10-16)19-11-12-21-13-17(19)15-7-3-1-4-8-15/h1-10,17H,11-14H2.
What are the key properties of 2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone?
2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone has a molecular weight of 297.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone is sourced from PubChem (CID 110728348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).