2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride

C19H23ClNO2+ — CID 53446850

IUPAC2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride
SMILESC[NH+](C)CCOC(=O)C(=Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H21NO2.ClH/c1-20(2)13-14-22-19(21)18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-12,15H,13-14H2,1-2H3;1H/p+1
InChIKeyLDLLSTPOHHXBIK-UHFFFAOYSA-O
MW332.85 g/mol
LogP2.34
Rot. Bonds6

About 2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride

2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride (PubChem CID 53446850) has the molecular formula C19H23ClNO2+ and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride.

Molecular Properties

Compound Name2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride
PubChem CID53446850
Molecular FormulaC19H23ClNO2+
Molecular Weight332.85 g/mol
Exact Mass332.14
IUPAC Name2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride
SMILESC[NH+](C)CCOC(=O)C(=Cc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H21NO2.ClH/c1-20(2)13-14-22-19(21)18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-12,15H,13-14H2,1-2H3;1H/p+1
InChIKeyLDLLSTPOHHXBIK-UHFFFAOYSA-O
XLogP2.34
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride?
The IUPAC name of 2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride (CID 53446850) is 2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride.
What is the SMILES notation for 2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride?
The canonical SMILES for 2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride is C[NH+](C)CCOC(=O)C(=Cc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride?
The InChIKey is LDLLSTPOHHXBIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21NO2.ClH/c1-20(2)13-14-22-19(21)18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-12,15H,13-14H2,1-2H3;1H/p+1.
What are the key properties of 2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride?
2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride is sourced from PubChem (CID 53446850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).