2-(2-acetylphenoxy)ethyl-dimethylazanium chloride

C12H18ClNO2 — CID 30269

IUPAC2-(2-acetylphenoxy)ethyl-dimethylazanium chloride
SMILESCC(=O)c1ccccc1OCC[NH+](C)C.[Cl-]
InChIInChI=1S/C12H17NO2.ClH/c1-10(14)11-6-4-5-7-12(11)15-9-8-13(2)3;/h4-7H,8-9H2,1-3H3;1H
InChIKeyCWLVMECIALAROL-UHFFFAOYSA-N
MW243.73 g/mol
LogP-2.58
Rot. Bonds5

About 2-(2-acetylphenoxy)ethyl-dimethylazanium chloride

2-(2-acetylphenoxy)ethyl-dimethylazanium chloride (PubChem CID 30269) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-(2-acetylphenoxy)ethyl-dimethylazanium chloride
PubChem CID30269
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-(2-acetylphenoxy)ethyl-dimethylazanium chloride
SMILESCC(=O)c1ccccc1OCC[NH+](C)C.[Cl-]
InChIInChI=1S/C12H17NO2.ClH/c1-10(14)11-6-4-5-7-12(11)15-9-8-13(2)3;/h4-7H,8-9H2,1-3H3;1H
InChIKeyCWLVMECIALAROL-UHFFFAOYSA-N
XLogP-2.58
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 5-2.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-acetylphenoxy)ethyl-dimethylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)ethyl-dimethylazanium chloride?
The IUPAC name of 2-(2-acetylphenoxy)ethyl-dimethylazanium chloride (CID 30269) is 2-(2-acetylphenoxy)ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-(2-acetylphenoxy)ethyl-dimethylazanium chloride?
The canonical SMILES for 2-(2-acetylphenoxy)ethyl-dimethylazanium chloride is CC(=O)c1ccccc1OCC[NH+](C)C.[Cl-].
What is the InChIKey of 2-(2-acetylphenoxy)ethyl-dimethylazanium chloride?
The InChIKey is CWLVMECIALAROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-10(14)11-6-4-5-7-12(11)15-9-8-13(2)3;/h4-7H,8-9H2,1-3H3;1H.
What are the key properties of 2-(2-acetylphenoxy)ethyl-dimethylazanium chloride?
2-(2-acetylphenoxy)ethyl-dimethylazanium chloride has a molecular weight of 243.73 g/mol, XLogP of -2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)ethyl-dimethylazanium chloride is sourced from PubChem (CID 30269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).