1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride

C18H22ClNO2 — CID 23774

IUPAC1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride
SMILESCC(COc1ccccc1C(=O)c1ccccc1)[NH+](C)C.[Cl-]
InChIInChI=1S/C18H21NO2.ClH/c1-14(19(2)3)13-21-17-12-8-7-11-16(17)18(20)15-9-5-4-6-10-15;/h4-12,14H,13H2,1-3H3;1H
InChIKeyKYKNSOIHEXYRLS-UHFFFAOYSA-N
MW319.83 g/mol
LogP-1.17
Rot. Bonds6

About 1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride

1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride (PubChem CID 23774) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride.

Molecular Properties

Compound Name1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride
PubChem CID23774
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride
SMILESCC(COc1ccccc1C(=O)c1ccccc1)[NH+](C)C.[Cl-]
InChIInChI=1S/C18H21NO2.ClH/c1-14(19(2)3)13-21-17-12-8-7-11-16(17)18(20)15-9-5-4-6-10-15;/h4-12,14H,13H2,1-3H3;1H
InChIKeyKYKNSOIHEXYRLS-UHFFFAOYSA-N
XLogP-1.17
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride?
The IUPAC name of 1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride (CID 23774) is 1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride.
What is the SMILES notation for 1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride?
The canonical SMILES for 1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride is CC(COc1ccccc1C(=O)c1ccccc1)[NH+](C)C.[Cl-].
What is the InChIKey of 1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride?
The InChIKey is KYKNSOIHEXYRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-14(19(2)3)13-21-17-12-8-7-11-16(17)18(20)15-9-5-4-6-10-15;/h4-12,14H,13H2,1-3H3;1H.
What are the key properties of 1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride?
1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride has a molecular weight of 319.83 g/mol, XLogP of -1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylphenoxy)propan-2-yl-dimethylazanium chloride is sourced from PubChem (CID 23774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).