2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride

C14H20ClNO3 — CID 71966221

IUPAC2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride
SMILESCOc1ccccc1C=CC(=O)OCC[NH+](C)C.[Cl-]
InChIInChI=1S/C14H19NO3.ClH/c1-15(2)10-11-18-14(16)9-8-12-6-4-5-7-13(12)17-3;/h4-9H,10-11H2,1-3H3;1H
InChIKeyPOXFHSZGNHHZQU-UHFFFAOYSA-N
MW285.77 g/mol
LogP-2.60
Rot. Bonds6

About 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride

2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride (PubChem CID 71966221) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride
PubChem CID71966221
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride
SMILESCOc1ccccc1C=CC(=O)OCC[NH+](C)C.[Cl-]
InChIInChI=1S/C14H19NO3.ClH/c1-15(2)10-11-18-14(16)9-8-12-6-4-5-7-13(12)17-3;/h4-9H,10-11H2,1-3H3;1H
InChIKeyPOXFHSZGNHHZQU-UHFFFAOYSA-N
XLogP-2.60
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 5-2.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium
CID 3350650
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
phenacyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541811
(3,3-dimethyl-2-oxobutyl) 3-(2-methoxyphenyl)prop-2-enoate
CID 3632241
[2-(dimethylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2097828
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
[2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 4223995
ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
CID 87212228
[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 155530627
[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2444614
[2-(4-fluorophenyl)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 4878019
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride?
The IUPAC name of 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride (CID 71966221) is 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride?
The canonical SMILES for 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride is COc1ccccc1C=CC(=O)OCC[NH+](C)C.[Cl-].
What is the InChIKey of 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride?
The InChIKey is POXFHSZGNHHZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.ClH/c1-15(2)10-11-18-14(16)9-8-12-6-4-5-7-13(12)17-3;/h4-9H,10-11H2,1-3H3;1H.
What are the key properties of 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride?
2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride has a molecular weight of 285.77 g/mol, XLogP of -2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride is sourced from PubChem (CID 71966221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).