1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride

C15H22ClNO3 — CID 2849387

IUPAC1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCCOc1ccc(C(=O)CCN2CCOCC2)cc1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-2-19-14-5-3-13(4-6-14)15(17)7-8-16-9-11-18-12-10-16;/h3-6H,2,7-12H2,1H3;1H
InChIKeyDBVWQCZYUKIYFP-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.41
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride

1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 2849387) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride
PubChem CID2849387
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCCOc1ccc(C(=O)CCN2CCOCC2)cc1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-2-19-14-5-3-13(4-6-14)15(17)7-8-16-9-11-18-12-10-16;/h3-6H,2,7-12H2,1H3;1H
InChIKeyDBVWQCZYUKIYFP-UHFFFAOYSA-N
XLogP2.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride (CID 2849387) is 1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride is CCOc1ccc(C(=O)CCN2CCOCC2)cc1.Cl.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is DBVWQCZYUKIYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-2-19-14-5-3-13(4-6-14)15(17)7-8-16-9-11-18-12-10-16;/h3-6H,2,7-12H2,1H3;1H.
What are the key properties of 1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride?
1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 2849387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).