4-(2-methoxyethenyl)-2,6-diphenylpyrylium

C20H17O2+ — CID 101194037

IUPAC4-(2-methoxyethenyl)-2,6-diphenylpyrylium
SMILESCOC=Cc1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1
InChIInChI=1S/C20H17O2/c1-21-13-12-16-14-19(17-8-4-2-5-9-17)22-20(15-16)18-10-6-3-7-11-18/h2-15H,1H3/q+1
InChIKeyZQCHJFIKDTXZOH-UHFFFAOYSA-N
MW289.35 g/mol
LogP5.51
Rot. Bonds4

About 4-(2-methoxyethenyl)-2,6-diphenylpyrylium

4-(2-methoxyethenyl)-2,6-diphenylpyrylium (PubChem CID 101194037) has the molecular formula C20H17O2+ and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-(2-methoxyethenyl)-2,6-diphenylpyrylium.

Molecular Properties

Compound Name4-(2-methoxyethenyl)-2,6-diphenylpyrylium
PubChem CID101194037
Molecular FormulaC20H17O2+
Molecular Weight289.35 g/mol
Exact Mass289.12
IUPAC Name4-(2-methoxyethenyl)-2,6-diphenylpyrylium
SMILESCOC=Cc1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1
InChIInChI=1S/C20H17O2/c1-21-13-12-16-14-19(17-8-4-2-5-9-17)22-20(15-16)18-10-6-3-7-11-18/h2-15H,1H3/q+1
InChIKeyZQCHJFIKDTXZOH-UHFFFAOYSA-N
XLogP5.51
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.35
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate
CID 52987343
2-methoxyethenylbenzene;triazine
CID 161264101
4-[(E)-2-[4-(2-methylsulfanylethoxy)phenyl]ethenyl]-2,6-diphenylpyrylium tetrafluoroborate
CID 21177733
4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
CID 6033287
3-(2-methoxyethenyl)phenol
CID 175460679
1-(2-methoxyethenyl)-3-phenylnaphthalene
CID 156771298
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
3-[(E)-2-methoxyethenyl]aniline
CID 71681260
1-bromo-3-[(E)-2-methoxyethenyl]benzene
CID 67543608
3-(2-methoxyethenyl)benzoic acid
CID 70467435
2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
CID 3488310
tetraphenylboranuide;2,4,6-triphenylpyrylium
CID 139713157

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethenyl)-2,6-diphenylpyrylium?
The IUPAC name of 4-(2-methoxyethenyl)-2,6-diphenylpyrylium (CID 101194037) is 4-(2-methoxyethenyl)-2,6-diphenylpyrylium.
What is the SMILES notation for 4-(2-methoxyethenyl)-2,6-diphenylpyrylium?
The canonical SMILES for 4-(2-methoxyethenyl)-2,6-diphenylpyrylium is COC=Cc1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1.
What is the InChIKey of 4-(2-methoxyethenyl)-2,6-diphenylpyrylium?
The InChIKey is ZQCHJFIKDTXZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17O2/c1-21-13-12-16-14-19(17-8-4-2-5-9-17)22-20(15-16)18-10-6-3-7-11-18/h2-15H,1H3/q+1.
What are the key properties of 4-(2-methoxyethenyl)-2,6-diphenylpyrylium?
4-(2-methoxyethenyl)-2,6-diphenylpyrylium has a molecular weight of 289.35 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethenyl)-2,6-diphenylpyrylium is sourced from PubChem (CID 101194037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).