(3-hydroxyphenyl)-trimethylazanium

C9H14NO+ — CID 15384

IUPAC(3-hydroxyphenyl)-trimethylazanium
SMILESC[N+](C)(C)c1cccc(O)c1
InChIInChI=1S/C9H13NO/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3/p+1
InChIKeyCSKWZSUBRGLJBC-UHFFFAOYSA-O
MW152.22 g/mol
LogP1.59
Rot. Bonds1

About (3-hydroxyphenyl)-trimethylazanium

(3-hydroxyphenyl)-trimethylazanium (PubChem CID 15384) has the molecular formula C9H14NO+ and a molecular weight of 152.22 g/mol. Its IUPAC name is (3-hydroxyphenyl)-trimethylazanium.

Molecular Properties

Compound Name(3-hydroxyphenyl)-trimethylazanium
PubChem CID15384
Molecular FormulaC9H14NO+
Molecular Weight152.22 g/mol
Exact Mass152.11
IUPAC Name(3-hydroxyphenyl)-trimethylazanium
SMILESC[N+](C)(C)c1cccc(O)c1
InChIInChI=1S/C9H13NO/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3/p+1
InChIKeyCSKWZSUBRGLJBC-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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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-trimethylazanium?
The IUPAC name of (3-hydroxyphenyl)-trimethylazanium (CID 15384) is (3-hydroxyphenyl)-trimethylazanium.
What is the SMILES notation for (3-hydroxyphenyl)-trimethylazanium?
The canonical SMILES for (3-hydroxyphenyl)-trimethylazanium is C[N+](C)(C)c1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl)-trimethylazanium?
The InChIKey is CSKWZSUBRGLJBC-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13NO/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3/p+1.
What are the key properties of (3-hydroxyphenyl)-trimethylazanium?
(3-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 (3-hydroxyphenyl)-trimethylazanium is sourced from PubChem (CID 15384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).