potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide

C14H19BF3KO2 — CID 106746517

IUPACpotassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(COc1ccc(OC)cc1C(C)(C)C)[B-](F)(F)F.[K+]
InChIInChI=1S/C14H19BF3O2.K/c1-10(15(16,17)18)9-20-13-7-6-11(19-5)8-12(13)14(2,3)4;/h6-8H,1,9H2,2-5H3;/q-1;+1
InChIKeyWENQLXQEINNHBL-UHFFFAOYSA-N
MW326.21 g/mol
LogP1.32
Rot. Bonds5

About potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide

potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106746517) has the molecular formula C14H19BF3KO2 and a molecular weight of 326.21 g/mol. Its IUPAC name is potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106746517
Molecular FormulaC14H19BF3KO2
Molecular Weight326.21 g/mol
Exact Mass326.11
IUPAC Namepotassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(COc1ccc(OC)cc1C(C)(C)C)[B-](F)(F)F.[K+]
InChIInChI=1S/C14H19BF3O2.K/c1-10(15(16,17)18)9-20-13-7-6-11(19-5)8-12(13)14(2,3)4;/h6-8H,1,9H2,2-5H3;/q-1;+1
InChIKeyWENQLXQEINNHBL-UHFFFAOYSA-N
XLogP1.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066796
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 100798601
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104751738
1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423
3-(2-tert-butyl-4-methoxyphenoxy)propanoic acid
CID 16771116
2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]propanoic acid
CID 16642065
1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 64812535
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257858
2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159606
bis(2-tert-butyl-4-methoxyphenyl) carbonate
CID 168985154

Frequently Asked Questions

What is the IUPAC name of potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide (CID 106746517) is potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide is C=C(COc1ccc(OC)cc1C(C)(C)C)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is WENQLXQEINNHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BF3O2.K/c1-10(15(16,17)18)9-20-13-7-6-11(19-5)8-12(13)14(2,3)4;/h6-8H,1,9H2,2-5H3;/q-1;+1.
What are the key properties of potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide?
potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 326.21 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(2-tert-butyl-4-methoxyphenoxy)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106746517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).