methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol

C14H18NO2+ — CID 163247384

IUPACmethoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol
SMILESCOC.C[n+]1ccccc1-c1ccc(O)cc1
InChIInChI=1S/C12H11NO.C2H6O/c1-13-9-3-2-4-12(13)10-5-7-11(14)8-6-10;1-3-2/h2-9H,1H3;1-2H3/p+1
InChIKeyQRYHAHUPFZMNDY-UHFFFAOYSA-O
MW232.30 g/mol
LogP2.15
Rot. Bonds1

About methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol

methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol (PubChem CID 163247384) has the molecular formula C14H18NO2+ and a molecular weight of 232.30 g/mol. Its IUPAC name is methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol.

Molecular Properties

Compound Namemethoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol
PubChem CID163247384
Molecular FormulaC14H18NO2+
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Namemethoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol
SMILESCOC.C[n+]1ccccc1-c1ccc(O)cc1
InChIInChI=1S/C12H11NO.C2H6O/c1-13-9-3-2-4-12(13)10-5-7-11(14)8-6-10;1-3-2/h2-9H,1H3;1-2H3/p+1
InChIKeyQRYHAHUPFZMNDY-UHFFFAOYSA-O
XLogP2.15
TPSA33.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-1-methylpyridin-1-ium iodide
CID 12957521
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine
CID 145493796
methoxymethane;phenol
CID 18763564
1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990
4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 169313124
2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium
CID 170543584
4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
CID 5339483
2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139731334
2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium
CID 10482035
4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide
CID 126960791
ethane;2-methyl-4-(1-methylpyridin-1-ium-2-yl)pyridine
CID 155692728

Frequently Asked Questions

What is the IUPAC name of methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol?
The IUPAC name of methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol (CID 163247384) is methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol.
What is the SMILES notation for methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol?
The canonical SMILES for methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol is COC.C[n+]1ccccc1-c1ccc(O)cc1.
What is the InChIKey of methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol?
The InChIKey is QRYHAHUPFZMNDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H11NO.C2H6O/c1-13-9-3-2-4-12(13)10-5-7-11(14)8-6-10;1-3-2/h2-9H,1H3;1-2H3/p+1.
What are the key properties of methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol?
methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol has a molecular weight of 232.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;4-(1-methylpyridin-1-ium-2-yl)phenol is sourced from PubChem (CID 163247384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).