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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Related Compounds

dimethyl-[2-[(Z)-2-(4-nitrophenyl)-3-phenylprop-2-enoyl]oxyethyl]azanium chloride
CID 6536684
2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate
CID 173477816
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 97301971
2-[2-benzamido-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]oxyethyl-dimethylazanium
CID 4652414
ethyl (2E,4Z)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienoate
CID 72736843
2-(2-methyl-5-nitroimidazol-1-yl)ethyl (E)-2,3-diphenylprop-2-enoate
CID 44606732
ethenyl (Z)-2,3-diphenylprop-2-enoate
CID 19093241
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate
CID 6857977
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008
acetic acid;ethenyl 2,3-diphenylprop-2-enoate
CID 174744472

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).