2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride

C14H22ClNO3 — CID 24382

IUPAC2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOc1ccc(C(C)=O)c(O)c1.[Cl-]
InChIInChI=1S/C14H21NO3.ClH/c1-4-15(5-2)8-9-18-12-6-7-13(11(3)16)14(17)10-12;/h6-7,10,17H,4-5,8-9H2,1-3H3;1H
InChIKeyIWCNTSREKCNBQK-UHFFFAOYSA-N
MW287.79 g/mol
LogP-2.10
Rot. Bonds7

About 2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride

2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride (PubChem CID 24382) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride
PubChem CID24382
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOc1ccc(C(C)=O)c(O)c1.[Cl-]
InChIInChI=1S/C14H21NO3.ClH/c1-4-15(5-2)8-9-18-12-6-7-13(11(3)16)14(17)10-12;/h6-7,10,17H,4-5,8-9H2,1-3H3;1H
InChIKeyIWCNTSREKCNBQK-UHFFFAOYSA-N
XLogP-2.10
TPSA50.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]ethanone
CID 24383
diethyl-[2-(2-hydroxy-4-methoxybenzoyl)oxyethyl]azanium chloride
CID 44668198
2-(3-acetylphenoxy)ethyl-diethylazanium
CID 7273681
5-(4-acetyl-3-hydroxyphenoxy)pentanenitrile
CID 15747299
1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone
CID 14523499
2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride
CID 139146275
1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone
CID 91620245
4-[2-(diethylazaniumyl)ethoxy]benzoate
CID 42311415
1-[4-(3-chloroprop-2-ynoxy)-2-hydroxyphenyl]ethanone
CID 53441388
1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone
CID 3584432
2-[2-[3-(4-acetyl-3-hydroxyphenoxy)propoxy]phenyl]-2-oxoacetic acid
CID 19004456
bis(4-butoxy-2-hydroxyphenyl)methanone;bis(2-hydroxy-4-propan-2-yloxyphenyl)methanone
CID 162086592

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride?
The IUPAC name of 2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride (CID 24382) is 2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride.
What is the SMILES notation for 2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride?
The canonical SMILES for 2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride is CC[NH+](CC)CCOc1ccc(C(C)=O)c(O)c1.[Cl-].
What is the InChIKey of 2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride?
The InChIKey is IWCNTSREKCNBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/c1-4-15(5-2)8-9-18-12-6-7-13(11(3)16)14(17)10-12;/h6-7,10,17H,4-5,8-9H2,1-3H3;1H.
What are the key properties of 2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride?
2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride has a molecular weight of 287.79 g/mol, XLogP of -2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride is sourced from PubChem (CID 24382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).