4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione

C12H13NO4 — CID 61328165

IUPAC4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CC(O)c1ccccc1
InChIInChI=1S/C12H13NO4/c14-10(9-4-2-1-3-5-9)6-13-11(15)7-17-8-12(13)16/h1-5,10,14H,6-8H2
InChIKeyFNNXDXNTIHXYEB-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.11
Rot. Bonds3

About 4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione

4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione (PubChem CID 61328165) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione
PubChem CID61328165
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CC(O)c1ccccc1
InChIInChI=1S/C12H13NO4/c14-10(9-4-2-1-3-5-9)6-13-11(15)7-17-8-12(13)16/h1-5,10,14H,6-8H2
InChIKeyFNNXDXNTIHXYEB-UHFFFAOYSA-N
XLogP0.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydroxy-2-phenylethyl)morpholin-3-one
CID 79469635
3-(3,5-dioxomorpholin-4-yl)-2-phenylpropanethioamide
CID 64538157
4-(2,3-dihydroxypropyl)morpholine-3,5-dione
CID 66176288
1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione
CID 61207152
1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one
CID 21492519
4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168698967
1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione
CID 65014543
1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 110026793
1-[(2S)-2-hydroxy-2-phenylethyl]pyridin-2-one
CID 36689704
5,5-diethyl-3-[(2R)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571809
5,5-diethyl-3-[(2S)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571808
N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide
CID 46887933

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione?
The IUPAC name of 4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione (CID 61328165) is 4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione?
The canonical SMILES for 4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione is O=C1COCC(=O)N1CC(O)c1ccccc1.
What is the InChIKey of 4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione?
The InChIKey is FNNXDXNTIHXYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-10(9-4-2-1-3-5-9)6-13-11(15)7-17-8-12(13)16/h1-5,10,14H,6-8H2.
What are the key properties of 4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione?
4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione has a molecular weight of 235.24 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione is sourced from PubChem (CID 61328165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).