(2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide

C11H18INO2 — CID 56773565

IUPAC(2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide
SMILESCOc1ccc(O)c(C[N+](C)(C)C)c1.[I-]
InChIInChI=1S/C11H17NO2.HI/c1-12(2,3)8-9-7-10(14-4)5-6-11(9)13;/h5-7H,8H2,1-4H3;1H
InChIKeyNRZQBNGPNLREIX-UHFFFAOYSA-N
MW323.17 g/mol
LogP-1.39
Rot. Bonds3

About (2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide

(2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide (PubChem CID 56773565) has the molecular formula C11H18INO2 and a molecular weight of 323.17 g/mol. Its IUPAC name is (2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide.

Molecular Properties

Compound Name(2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide
PubChem CID56773565
Molecular FormulaC11H18INO2
Molecular Weight323.17 g/mol
Exact Mass323.04
IUPAC Name(2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide
SMILESCOc1ccc(O)c(C[N+](C)(C)C)c1.[I-]
InChIInChI=1S/C11H17NO2.HI/c1-12(2,3)8-9-7-10(14-4)5-6-11(9)13;/h5-7H,8H2,1-4H3;1H
InChIKeyNRZQBNGPNLREIX-UHFFFAOYSA-N
XLogP-1.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
2-(diazenylmethyl)-4-methoxyphenol
CID 91523792
4-methoxy-2-(3-methylbut-2-enyl)phenol
CID 11819902
4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580
2-(ethenoxymethyl)-4-methoxyphenol
CID 45091276
3-(2-hydroxy-5-methoxyphenyl)propanenitrile
CID 130773609
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
[5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl-trimethylazanium
CID 102102929
sodium bis[(2-hydroxy-5-methoxyphenyl)methoxy]borinate
CID 139843436
2-(azidomethyl)-4-methoxyphenol
CID 16655853
2-(ethenylsulfanylmethyl)-4-methoxyphenol
CID 170137534

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide?
The IUPAC name of (2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide (CID 56773565) is (2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide.
What is the SMILES notation for (2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide?
The canonical SMILES for (2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide is COc1ccc(O)c(C[N+](C)(C)C)c1.[I-].
What is the InChIKey of (2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide?
The InChIKey is NRZQBNGPNLREIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.HI/c1-12(2,3)8-9-7-10(14-4)5-6-11(9)13;/h5-7H,8H2,1-4H3;1H.
What are the key properties of (2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide?
(2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide has a molecular weight of 323.17 g/mol, XLogP of -1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide is sourced from PubChem (CID 56773565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).