ethyl-(4-hydroxyphenyl)-dimethylazanium

C10H16NO+ — CID 23621897

IUPACethyl-(4-hydroxyphenyl)-dimethylazanium
SMILESCC[N+](C)(C)c1ccc(O)cc1
InChIInChI=1S/C10H15NO/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8H,4H2,1-3H3/p+1
InChIKeyRBTDOGKFRLGNRJ-UHFFFAOYSA-O
MW166.24 g/mol
LogP1.98
Rot. Bonds2

About ethyl-(4-hydroxyphenyl)-dimethylazanium

ethyl-(4-hydroxyphenyl)-dimethylazanium (PubChem CID 23621897) has the molecular formula C10H16NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is ethyl-(4-hydroxyphenyl)-dimethylazanium.

Molecular Properties

Compound Nameethyl-(4-hydroxyphenyl)-dimethylazanium
PubChem CID23621897
Molecular FormulaC10H16NO+
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Nameethyl-(4-hydroxyphenyl)-dimethylazanium
SMILESCC[N+](C)(C)c1ccc(O)cc1
InChIInChI=1S/C10H15NO/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8H,4H2,1-3H3/p+1
InChIKeyRBTDOGKFRLGNRJ-UHFFFAOYSA-O
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 51.98
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

(4-carboxyphenyl)-ethyl-dimethylazanium
CID 22725926
ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide
CID 23616875
phenol;triethyl(methyl)azanium
CID 159672401
butane;4-(hydroxysulfanylmethyl)phenol
CID 174726296
4-aminophenol;butane;methanamine
CID 145479199
bis(benzene-1,4-diol);carbonic acid;propane
CID 70469220
1-(4-hydroxyphenyl)propyl-trimethylazanium
CID 3026627
benzene-1,4-diol;hydron
CID 137356428
argon;benzene-1,4-diol
CID 71441175
CID 158795306
CID 158795306
butane;1-(4-hydroxyphenyl)ethanone
CID 142352310
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639

Frequently Asked Questions

What is the IUPAC name of ethyl-(4-hydroxyphenyl)-dimethylazanium?
The IUPAC name of ethyl-(4-hydroxyphenyl)-dimethylazanium (CID 23621897) is ethyl-(4-hydroxyphenyl)-dimethylazanium.
What is the SMILES notation for ethyl-(4-hydroxyphenyl)-dimethylazanium?
The canonical SMILES for ethyl-(4-hydroxyphenyl)-dimethylazanium is CC[N+](C)(C)c1ccc(O)cc1.
What is the InChIKey of ethyl-(4-hydroxyphenyl)-dimethylazanium?
The InChIKey is RBTDOGKFRLGNRJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15NO/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8H,4H2,1-3H3/p+1.
What are the key properties of ethyl-(4-hydroxyphenyl)-dimethylazanium?
ethyl-(4-hydroxyphenyl)-dimethylazanium has a molecular weight of 166.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-hydroxyphenyl)-dimethylazanium is sourced from PubChem (CID 23621897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).