2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone

C14H19NO3 — CID 920934

IUPAC2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone
SMILESCc1ccc(C)c(OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H19NO3/c1-11-3-4-12(2)13(9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyKNQDRJJBJVAOSS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.54
Rot. Bonds3

About 2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone

2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone (PubChem CID 920934) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone
PubChem CID920934
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone
SMILESCc1ccc(C)c(OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H19NO3/c1-11-3-4-12(2)13(9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyKNQDRJJBJVAOSS-UHFFFAOYSA-N
XLogP1.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone (CID 920934) is 2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone is Cc1ccc(C)c(OCC(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone?
The InChIKey is KNQDRJJBJVAOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-3-4-12(2)13(9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone?
2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone has a molecular weight of 249.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 920934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).