triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium

C22H30NO2+ — CID 176732616

IUPACtriethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium
SMILESCC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C22H29NO2/c1-4-23(5-2,6-3)17-18-25-22-15-11-20(12-16-22)8-7-19-9-13-21(24)14-10-19/h7-16H,4-6,17-18H2,1-3H3/p+1
InChIKeyAWGHJHAVKVZJIW-UHFFFAOYSA-O
MW340.49 g/mol
LogP4.82
Rot. Bonds9

About triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium

triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium (PubChem CID 176732616) has the molecular formula C22H30NO2+ and a molecular weight of 340.49 g/mol. Its IUPAC name is triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium
PubChem CID176732616
Molecular FormulaC22H30NO2+
Molecular Weight340.49 g/mol
Exact Mass340.23
IUPAC Nametriethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium
SMILESCC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C22H29NO2/c1-4-23(5-2,6-3)17-18-25-22-15-11-20(12-16-22)8-7-19-9-13-21(24)14-10-19/h7-16H,4-6,17-18H2,1-3H3/p+1
InChIKeyAWGHJHAVKVZJIW-UHFFFAOYSA-O
XLogP4.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium
CID 176732614
triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium
CID 6604856
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium
CID 176732152
triethyl-[2-[4-[1,2,2-tris[4-[2-(triethylazaniumyl)ethoxy]phenyl]ethenyl]phenoxy]ethyl]azanium
CID 44611206
2-(4-tert-butylphenoxy)ethyl-triethylazanium
CID 3026407
5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol
CID 67436297
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol
CID 57478513
5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
CID 57478509
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
triethyl-[2-[2-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium iodide
CID 20838079
4-[(E)-2-[4-[5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenol
CID 136773205

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium?
The IUPAC name of triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium (CID 176732616) is triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium.
What is the SMILES notation for triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium?
The canonical SMILES for triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium is CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc(O)cc2)cc1.
What is the InChIKey of triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium?
The InChIKey is AWGHJHAVKVZJIW-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29NO2/c1-4-23(5-2,6-3)17-18-25-22-15-11-20(12-16-22)8-7-19-9-13-21(24)14-10-19/h7-16H,4-6,17-18H2,1-3H3/p+1.
What are the key properties of triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium?
triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium has a molecular weight of 340.49 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium is sourced from PubChem (CID 176732616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).