[2-(3-oxomorpholin-4-yl)phenyl]methyl acetate

C13H15NO4 — CID 174792483

IUPAC[2-(3-oxomorpholin-4-yl)phenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1N1CCOCC1=O
InChIInChI=1S/C13H15NO4/c1-10(15)18-8-11-4-2-3-5-12(11)14-6-7-17-9-13(14)16/h2-5H,6-9H2,1H3
InChIKeyZPWZMDYXXBLYFV-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.11
Rot. Bonds3

About [2-(3-oxomorpholin-4-yl)phenyl]methyl acetate

[2-(3-oxomorpholin-4-yl)phenyl]methyl acetate (PubChem CID 174792483) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is [2-(3-oxomorpholin-4-yl)phenyl]methyl acetate.

Molecular Properties

Compound Name[2-(3-oxomorpholin-4-yl)phenyl]methyl acetate
PubChem CID174792483
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name[2-(3-oxomorpholin-4-yl)phenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1N1CCOCC1=O
InChIInChI=1S/C13H15NO4/c1-10(15)18-8-11-4-2-3-5-12(11)14-6-7-17-9-13(14)16/h2-5H,6-9H2,1H3
InChIKeyZPWZMDYXXBLYFV-UHFFFAOYSA-N
XLogP1.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,16-bis(2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 11016587
4-(3-chloro-2-methylphenyl)morpholin-3-one
CID 165473298
2-chloro-6-(3-oxomorpholin-4-yl)benzamide
CID 165482514
ethane;(2-methylphenyl)methyl acetate
CID 143177732
4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one
CID 165482191
4-methyl-3-(3-oxomorpholin-4-yl)benzoic acid
CID 82513246
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
4-(6-amino-2-ethyl-3-pyridinyl)morpholin-3-one
CID 53417899
[2-(bromomethyl)phenyl]methyl acetate
CID 14921817
methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione
CID 79516147

Frequently Asked Questions

What is the IUPAC name of [2-(3-oxomorpholin-4-yl)phenyl]methyl acetate?
The IUPAC name of [2-(3-oxomorpholin-4-yl)phenyl]methyl acetate (CID 174792483) is [2-(3-oxomorpholin-4-yl)phenyl]methyl acetate.
What is the SMILES notation for [2-(3-oxomorpholin-4-yl)phenyl]methyl acetate?
The canonical SMILES for [2-(3-oxomorpholin-4-yl)phenyl]methyl acetate is CC(=O)OCc1ccccc1N1CCOCC1=O.
What is the InChIKey of [2-(3-oxomorpholin-4-yl)phenyl]methyl acetate?
The InChIKey is ZPWZMDYXXBLYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-10(15)18-8-11-4-2-3-5-12(11)14-6-7-17-9-13(14)16/h2-5H,6-9H2,1H3.
What are the key properties of [2-(3-oxomorpholin-4-yl)phenyl]methyl acetate?
[2-(3-oxomorpholin-4-yl)phenyl]methyl acetate has a molecular weight of 249.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-oxomorpholin-4-yl)phenyl]methyl acetate is sourced from PubChem (CID 174792483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).