(2-hydroxyphenyl)methyl-trimethylazanium iodide

C10H16INO — CID 3026646

IUPAC(2-hydroxyphenyl)methyl-trimethylazanium iodide
SMILESC[N+](C)(C)Cc1ccccc1O.[I-]
InChIInChI=1S/C10H15NO.HI/c1-11(2,3)8-9-6-4-5-7-10(9)12;/h4-7H,8H2,1-3H3;1H
InChIKeyKZSKBSVUPFWNPM-UHFFFAOYSA-N
MW293.15 g/mol
LogP-1.40
Rot. Bonds2

About (2-hydroxyphenyl)methyl-trimethylazanium iodide

(2-hydroxyphenyl)methyl-trimethylazanium iodide (PubChem CID 3026646) has the molecular formula C10H16INO and a molecular weight of 293.15 g/mol. Its IUPAC name is (2-hydroxyphenyl)methyl-trimethylazanium iodide.

Molecular Properties

Compound Name(2-hydroxyphenyl)methyl-trimethylazanium iodide
PubChem CID3026646
Molecular FormulaC10H16INO
Molecular Weight293.15 g/mol
Exact Mass293.03
IUPAC Name(2-hydroxyphenyl)methyl-trimethylazanium iodide
SMILESC[N+](C)(C)Cc1ccccc1O.[I-]
InChIInChI=1S/C10H15NO.HI/c1-11(2,3)8-9-6-4-5-7-10(9)12;/h4-7H,8H2,1-3H3;1H
InChIKeyKZSKBSVUPFWNPM-UHFFFAOYSA-N
XLogP-1.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)methyl-trimethylazanium iodide?
The IUPAC name of (2-hydroxyphenyl)methyl-trimethylazanium iodide (CID 3026646) is (2-hydroxyphenyl)methyl-trimethylazanium iodide.
What is the SMILES notation for (2-hydroxyphenyl)methyl-trimethylazanium iodide?
The canonical SMILES for (2-hydroxyphenyl)methyl-trimethylazanium iodide is C[N+](C)(C)Cc1ccccc1O.[I-].
What is the InChIKey of (2-hydroxyphenyl)methyl-trimethylazanium iodide?
The InChIKey is KZSKBSVUPFWNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.HI/c1-11(2,3)8-9-6-4-5-7-10(9)12;/h4-7H,8H2,1-3H3;1H.
What are the key properties of (2-hydroxyphenyl)methyl-trimethylazanium iodide?
(2-hydroxyphenyl)methyl-trimethylazanium iodide has a molecular weight of 293.15 g/mol, XLogP of -1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)methyl-trimethylazanium iodide is sourced from PubChem (CID 3026646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).