(5-tert-butyl-2-hydroxyphenyl)-trimethylazanium

C13H22NO+ — CID 23621756

IUPAC(5-tert-butyl-2-hydroxyphenyl)-trimethylazanium
SMILESCC(C)(C)c1ccc(O)c([N+](C)(C)C)c1
InChIInChI=1S/C13H21NO/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9H,1-6H3/p+1
InChIKeyISOXQPLOUPBPTL-UHFFFAOYSA-O
MW208.32 g/mol
LogP2.89
Rot. Bonds1

About (5-tert-butyl-2-hydroxyphenyl)-trimethylazanium

(5-tert-butyl-2-hydroxyphenyl)-trimethylazanium (PubChem CID 23621756) has the molecular formula C13H22NO+ and a molecular weight of 208.32 g/mol. Its IUPAC name is (5-tert-butyl-2-hydroxyphenyl)-trimethylazanium.

Molecular Properties

Compound Name(5-tert-butyl-2-hydroxyphenyl)-trimethylazanium
PubChem CID23621756
Molecular FormulaC13H22NO+
Molecular Weight208.32 g/mol
Exact Mass208.17
IUPAC Name(5-tert-butyl-2-hydroxyphenyl)-trimethylazanium
SMILESCC(C)(C)c1ccc(O)c([N+](C)(C)C)c1
InChIInChI=1S/C13H21NO/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9H,1-6H3/p+1
InChIKeyISOXQPLOUPBPTL-UHFFFAOYSA-O
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylcarbamate;[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-trimethylazanium;iodide
CID 23623399
4-tert-butyl-2-fluorophenol
CID 11062790
4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
CID 90829503
4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol
CID 23082212
2-[(1S)-1-aminoethyl]-4-tert-butylphenol
CID 95421722
2-amino-4-tert-butylphenol;hydrochloride
CID 71441759
4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol
CID 70581973
4-tert-butyl-2-propan-2-ylphenol;formaldehyde
CID 174874962
4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol
CID 10351338
4-tert-butylbenzene-1,2-diol;phenol
CID 160621546
4-tert-butyl-2-(trifluoromethyl)phenol
CID 12652102
azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium
CID 87380509

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-hydroxyphenyl)-trimethylazanium?
The IUPAC name of (5-tert-butyl-2-hydroxyphenyl)-trimethylazanium (CID 23621756) is (5-tert-butyl-2-hydroxyphenyl)-trimethylazanium.
What is the SMILES notation for (5-tert-butyl-2-hydroxyphenyl)-trimethylazanium?
The canonical SMILES for (5-tert-butyl-2-hydroxyphenyl)-trimethylazanium is CC(C)(C)c1ccc(O)c([N+](C)(C)C)c1.
What is the InChIKey of (5-tert-butyl-2-hydroxyphenyl)-trimethylazanium?
The InChIKey is ISOXQPLOUPBPTL-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9H,1-6H3/p+1.
What are the key properties of (5-tert-butyl-2-hydroxyphenyl)-trimethylazanium?
(5-tert-butyl-2-hydroxyphenyl)-trimethylazanium has a molecular weight of 208.32 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-hydroxyphenyl)-trimethylazanium is sourced from PubChem (CID 23621756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).