2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium

C18H26NO2+ — CID 7442982

IUPAC2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
SMILESC=CCc1ccc(OCC[NH+](CC=C)CC=C)c(OC)c1
InChIInChI=1S/C18H25NO2/c1-5-8-16-9-10-17(18(15-16)20-4)21-14-13-19(11-6-2)12-7-3/h5-7,9-10,15H,1-3,8,11-14H2,4H3/p+1
InChIKeyJKZFXGOCQDLDMB-UHFFFAOYSA-O
MW288.41 g/mol
LogP2.06
Rot. Bonds11

About 2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium

2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium (PubChem CID 7442982) has the molecular formula C18H26NO2+ and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
PubChem CID7442982
Molecular FormulaC18H26NO2+
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
SMILESC=CCc1ccc(OCC[NH+](CC=C)CC=C)c(OC)c1
InChIInChI=1S/C18H25NO2/c1-5-8-16-9-10-17(18(15-16)20-4)21-14-13-19(11-6-2)12-7-3/h5-7,9-10,15H,1-3,8,11-14H2,4H3/p+1
InChIKeyJKZFXGOCQDLDMB-UHFFFAOYSA-O
XLogP2.06
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine
CID 6460350
1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
1-[3-(2-chloro-4-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2282941

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium?
The IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium (CID 7442982) is 2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium?
The canonical SMILES for 2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium is C=CCc1ccc(OCC[NH+](CC=C)CC=C)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium?
The InChIKey is JKZFXGOCQDLDMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25NO2/c1-5-8-16-9-10-17(18(15-16)20-4)21-14-13-19(11-6-2)12-7-3/h5-7,9-10,15H,1-3,8,11-14H2,4H3/p+1.
What are the key properties of 2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium?
2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium has a molecular weight of 288.41 g/mol, XLogP of 2.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 7442982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).