(3-hydroxy-2-methylphenyl)-trimethylazanium

C10H16NO+ — CID 5251958

IUPAC(3-hydroxy-2-methylphenyl)-trimethylazanium
SMILESCc1c(O)cccc1[N+](C)(C)C
InChIInChI=1S/C10H15NO/c1-8-9(11(2,3)4)6-5-7-10(8)12/h5-7H,1-4H3/p+1
InChIKeyAMPYOFOZIWNXFL-UHFFFAOYSA-O
MW166.24 g/mol
LogP1.90
Rot. Bonds1

About (3-hydroxy-2-methylphenyl)-trimethylazanium

(3-hydroxy-2-methylphenyl)-trimethylazanium (PubChem CID 5251958) has the molecular formula C10H16NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is (3-hydroxy-2-methylphenyl)-trimethylazanium.

Molecular Properties

Compound Name(3-hydroxy-2-methylphenyl)-trimethylazanium
PubChem CID5251958
Molecular FormulaC10H16NO+
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name(3-hydroxy-2-methylphenyl)-trimethylazanium
SMILESCc1c(O)cccc1[N+](C)(C)C
InChIInChI=1S/C10H15NO/c1-8-9(11(2,3)4)6-5-7-10(8)12/h5-7H,1-4H3/p+1
InChIKeyAMPYOFOZIWNXFL-UHFFFAOYSA-O
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 51.90
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

Edrophonium Chloride
CID 8307
Edrophonium
CID 3202
3-(Diethylamino)phenol
CID 7062
3-(Dimethylamino)phenol
CID 7421
3-Ethylamino-4-methylphenol
CID 8428
5-(2-Hydroxyethylamino)-2-methylphenol
CID 134396
N,N-Dibutyl-3-aminophenol
CID 601234
Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, bromide (1:1)
CID 9336
3-Hydroxyphenyltrimethylammonium iodide
CID 17250
3-(4-Benzyl-piperazin-1-yl)-phenol
CID 10015867
3-Dimethylamino-4-methylphenol
CID 8389
3-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850462

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methylphenyl)-trimethylazanium?
The IUPAC name of (3-hydroxy-2-methylphenyl)-trimethylazanium (CID 5251958) is (3-hydroxy-2-methylphenyl)-trimethylazanium.
What is the SMILES notation for (3-hydroxy-2-methylphenyl)-trimethylazanium?
The canonical SMILES for (3-hydroxy-2-methylphenyl)-trimethylazanium is Cc1c(O)cccc1[N+](C)(C)C.
What is the InChIKey of (3-hydroxy-2-methylphenyl)-trimethylazanium?
The InChIKey is AMPYOFOZIWNXFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15NO/c1-8-9(11(2,3)4)6-5-7-10(8)12/h5-7H,1-4H3/p+1.
What are the key properties of (3-hydroxy-2-methylphenyl)-trimethylazanium?
(3-hydroxy-2-methylphenyl)-trimethylazanium has a molecular weight of 166.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methylphenyl)-trimethylazanium is sourced from PubChem (CID 5251958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).