4-(4-phenylmethoxyphenyl)morpholine-3,5-dione

C17H15NO4 — CID 23821636

IUPAC4-(4-phenylmethoxyphenyl)morpholine-3,5-dione
SMILESO=C1COCC(=O)N1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H15NO4/c19-16-11-21-12-17(20)18(16)14-6-8-15(9-7-14)22-10-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyNTXWQJNSZFQXNC-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.16
Rot. Bonds4

About 4-(4-phenylmethoxyphenyl)morpholine-3,5-dione

4-(4-phenylmethoxyphenyl)morpholine-3,5-dione (PubChem CID 23821636) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-(4-phenylmethoxyphenyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(4-phenylmethoxyphenyl)morpholine-3,5-dione
PubChem CID23821636
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name4-(4-phenylmethoxyphenyl)morpholine-3,5-dione
SMILESO=C1COCC(=O)N1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H15NO4/c19-16-11-21-12-17(20)18(16)14-6-8-15(9-7-14)22-10-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyNTXWQJNSZFQXNC-UHFFFAOYSA-N
XLogP2.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,6R,7R)-4-(4-phenylmethoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11870124
6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one
CID 141321137
(3aS,5R,7aR)-5-methyl-2-(4-phenylmethoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124713322
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
5-methyl-2-(4-phenylmethoxyphenyl)-3H-1,2-oxazole
CID 141145466
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110561432
(5R)-5-(hydroxymethyl)-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11109337
3-oxo-9-(4-phenylmethoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid
CID 66784678
2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione
CID 168518179
(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 10882566
(6R)-4-ethyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
CID 67354065

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxyphenyl)morpholine-3,5-dione?
The IUPAC name of 4-(4-phenylmethoxyphenyl)morpholine-3,5-dione (CID 23821636) is 4-(4-phenylmethoxyphenyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(4-phenylmethoxyphenyl)morpholine-3,5-dione?
The canonical SMILES for 4-(4-phenylmethoxyphenyl)morpholine-3,5-dione is O=C1COCC(=O)N1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylmethoxyphenyl)morpholine-3,5-dione?
The InChIKey is NTXWQJNSZFQXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-16-11-21-12-17(20)18(16)14-6-8-15(9-7-14)22-10-13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of 4-(4-phenylmethoxyphenyl)morpholine-3,5-dione?
4-(4-phenylmethoxyphenyl)morpholine-3,5-dione has a molecular weight of 297.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxyphenyl)morpholine-3,5-dione is sourced from PubChem (CID 23821636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).