4-(3,4,5-trimethoxyphenyl)morpholin-3-one

C13H17NO5 — CID 165481703

IUPAC4-(3,4,5-trimethoxyphenyl)morpholin-3-one
SMILESCOc1cc(N2CCOCC2=O)cc(OC)c1OC
InChIInChI=1S/C13H17NO5/c1-16-10-6-9(7-11(17-2)13(10)18-3)14-4-5-19-8-12(14)15/h6-7H,4-5,8H2,1-3H3
InChIKeyCOYOGIUROVZDGQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.08
Rot. Bonds4

About 4-(3,4,5-trimethoxyphenyl)morpholin-3-one

4-(3,4,5-trimethoxyphenyl)morpholin-3-one (PubChem CID 165481703) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyphenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyphenyl)morpholin-3-one
PubChem CID165481703
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name4-(3,4,5-trimethoxyphenyl)morpholin-3-one
SMILESCOc1cc(N2CCOCC2=O)cc(OC)c1OC
InChIInChI=1S/C13H17NO5/c1-16-10-6-9(7-11(17-2)13(10)18-3)14-4-5-19-8-12(14)15/h6-7H,4-5,8H2,1-3H3
InChIKeyCOYOGIUROVZDGQ-UHFFFAOYSA-N
XLogP1.08
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756333
4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one
CID 165481667
4-(2-methoxy-4-methylphenyl)morpholin-3-one
CID 165482194
4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one
CID 66816624
7,16-bis(2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 11016587
4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one
CID 165482080
4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one
CID 177238780
4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one
CID 177238856
4-(3-methyl-5-morpholin-4-ylphenyl)morpholin-3-one
CID 59817776
methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one
CID 115370857
5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
CID 165482135

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyphenyl)morpholin-3-one?
The IUPAC name of 4-(3,4,5-trimethoxyphenyl)morpholin-3-one (CID 165481703) is 4-(3,4,5-trimethoxyphenyl)morpholin-3-one.
What is the SMILES notation for 4-(3,4,5-trimethoxyphenyl)morpholin-3-one?
The canonical SMILES for 4-(3,4,5-trimethoxyphenyl)morpholin-3-one is COc1cc(N2CCOCC2=O)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyphenyl)morpholin-3-one?
The InChIKey is COYOGIUROVZDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-16-10-6-9(7-11(17-2)13(10)18-3)14-4-5-19-8-12(14)15/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 4-(3,4,5-trimethoxyphenyl)morpholin-3-one?
4-(3,4,5-trimethoxyphenyl)morpholin-3-one has a molecular weight of 267.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyphenyl)morpholin-3-one is sourced from PubChem (CID 165481703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).