2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone

C16H23NO3 — CID 652486

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone
SMILESCc1ccc(C(C)C)c(OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23NO3/c1-12(2)14-5-4-13(3)10-15(14)20-11-16(18)17-6-8-19-9-7-17/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyQFGXTCYIAJHSAW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds4

About 2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone

2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone (PubChem CID 652486) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone
PubChem CID652486
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone
SMILESCc1ccc(C(C)C)c(OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23NO3/c1-12(2)14-5-4-13(3)10-15(14)20-11-16(18)17-6-8-19-9-7-17/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyQFGXTCYIAJHSAW-UHFFFAOYSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone (CID 652486) is 2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone is Cc1ccc(C(C)C)c(OCC(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone?
The InChIKey is QFGXTCYIAJHSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)14-5-4-13(3)10-15(14)20-11-16(18)17-6-8-19-9-7-17/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone?
2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone has a molecular weight of 277.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 652486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).