methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide

C15H18INO2 — CID 139055816

IUPACmethanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide
SMILESCO.C[n+]1ccc(/C=C/c2ccccc2O)cc1.[I-]
InChIInChI=1S/C14H13NO.CH4O.HI/c1-15-10-8-12(9-11-15)6-7-13-4-2-3-5-14(13)16;1-2;/h2-11H,1H3;2H,1H3;1H
InChIKeyMGYYUWCAKDOVGU-UHFFFAOYSA-N
MW371.22 g/mol
LogP-1.00
Rot. Bonds2

About methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide

methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide (PubChem CID 139055816) has the molecular formula C15H18INO2 and a molecular weight of 371.22 g/mol. Its IUPAC name is methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide.

Molecular Properties

Compound Namemethanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide
PubChem CID139055816
Molecular FormulaC15H18INO2
Molecular Weight371.22 g/mol
Exact Mass371.04
IUPAC Namemethanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide
SMILESCO.C[n+]1ccc(/C=C/c2ccccc2O)cc1.[I-]
InChIInChI=1S/C14H13NO.CH4O.HI/c1-15-10-8-12(9-11-15)6-7-13-4-2-3-5-14(13)16;1-2;/h2-11H,1H3;2H,1H3;1H
InChIKeyMGYYUWCAKDOVGU-UHFFFAOYSA-N
XLogP-1.00
TPSA44.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium iodide
CID 12946925
ethane;1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium
CID 142017607
5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide
CID 137221720
2-[(E)-2-[1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium-4-yl]ethenyl]phenol bromide
CID 21235860
2-(2-phenylethenyl)phenol;phosphoric acid
CID 67814298
2-[(E)-2-[1-[(2-bromophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol bromide
CID 10575391
1-methyl-3-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]indole
CID 918978
2-methoxy-5-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide;hydrate
CID 139071802
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54133293
4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]-N-phenylaniline
CID 25157945
2-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol
CID 11287698
2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol
CID 91055292

Frequently Asked Questions

What is the IUPAC name of methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide?
The IUPAC name of methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide (CID 139055816) is methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide.
What is the SMILES notation for methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide?
The canonical SMILES for methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide is CO.C[n+]1ccc(/C=C/c2ccccc2O)cc1.[I-].
What is the InChIKey of methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide?
The InChIKey is MGYYUWCAKDOVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.CH4O.HI/c1-15-10-8-12(9-11-15)6-7-13-4-2-3-5-14(13)16;1-2;/h2-11H,1H3;2H,1H3;1H.
What are the key properties of methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide?
methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide has a molecular weight of 371.22 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide is sourced from PubChem (CID 139055816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).