(2-hydroxyphenyl)-trimethylazanium

C9H14NO+ — CID 30619

IUPAC(2-hydroxyphenyl)-trimethylazanium
SMILESC[N+](C)(C)c1ccccc1O
InChIInChI=1S/C9H13NO/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,1-3H3/p+1
InChIKeyVDAMZFHTCKFXBJ-UHFFFAOYSA-O
MW152.22 g/mol
LogP1.59
Rot. Bonds1

About (2-hydroxyphenyl)-trimethylazanium

(2-hydroxyphenyl)-trimethylazanium (PubChem CID 30619) has the molecular formula C9H14NO+ and a molecular weight of 152.22 g/mol. Its IUPAC name is (2-hydroxyphenyl)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxyphenyl)-trimethylazanium
PubChem CID30619
Molecular FormulaC9H14NO+
Molecular Weight152.22 g/mol
Exact Mass152.11
IUPAC Name(2-hydroxyphenyl)-trimethylazanium
SMILESC[N+](C)(C)c1ccccc1O
InChIInChI=1S/C9H13NO/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,1-3H3/p+1
InChIKeyVDAMZFHTCKFXBJ-UHFFFAOYSA-O
XLogP1.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.59
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

2-Aminophenol
CID 5801
Edrophonium Chloride
CID 8307
n-Methyl-p-aminophenol
CID 5931
Edrophonium
CID 3202
2-Acetamidophenol
CID 11972
3-(Diethylamino)phenol
CID 7062
4-(Dimethylamino)phenol
CID 22174
3-(Dimethylamino)phenol
CID 7421
o-(1-Piperazinyl)phenol
CID 70530
2-Aminophenol hydrochloride
CID 5800
N,N-Dibutyl-3-aminophenol
CID 601234
Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, bromide (1:1)
CID 9336

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-trimethylazanium?
The IUPAC name of (2-hydroxyphenyl)-trimethylazanium (CID 30619) is (2-hydroxyphenyl)-trimethylazanium.
What is the SMILES notation for (2-hydroxyphenyl)-trimethylazanium?
The canonical SMILES for (2-hydroxyphenyl)-trimethylazanium is C[N+](C)(C)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-trimethylazanium?
The InChIKey is VDAMZFHTCKFXBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13NO/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,1-3H3/p+1.
What are the key properties of (2-hydroxyphenyl)-trimethylazanium?
(2-hydroxyphenyl)-trimethylazanium has a molecular weight of 152.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-trimethylazanium is sourced from PubChem (CID 30619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).