ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride

C20H26ClNO3 — CID 14415

IUPACethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride
SMILESCC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H26NO3.ClH/c1-4-21(2,3)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,4,15-16H2,1-3H3;1H/q+1;/p-1
InChIKeyTVCAZGSWNBZVJN-UHFFFAOYSA-M
MW363.88 g/mol
LogP-0.43
Rot. Bonds7

About ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride

ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride (PubChem CID 14415) has the molecular formula C20H26ClNO3 and a molecular weight of 363.88 g/mol. Its IUPAC name is ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride.

Molecular Properties

Compound Nameethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride
PubChem CID14415
Molecular FormulaC20H26ClNO3
Molecular Weight363.88 g/mol
Exact Mass363.16
IUPAC Nameethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride
SMILESCC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H26NO3.ClH/c1-4-21(2,3)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,4,15-16H2,1-3H3;1H/q+1;/p-1
InChIKeyTVCAZGSWNBZVJN-UHFFFAOYSA-M
XLogP-0.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.88
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride?
The IUPAC name of ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride (CID 14415) is ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride.
What is the SMILES notation for ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride?
The canonical SMILES for ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride is CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride?
The InChIKey is TVCAZGSWNBZVJN-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H26NO3.ClH/c1-4-21(2,3)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,4,15-16H2,1-3H3;1H/q+1;/p-1.
What are the key properties of ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride?
ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride has a molecular weight of 363.88 g/mol, XLogP of -0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium chloride is sourced from PubChem (CID 14415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).