2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate

C20H19ClO7 — CID 12779622

IUPAC2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate
SMILESCOc1ccc(-c2cc(C)[o+]c(-c3ccc(OC)cc3)c2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C20H19O3.ClHO4/c1-14-12-17(15-4-8-18(21-2)9-5-15)13-20(23-14)16-6-10-19(22-3)11-7-16;2-1(3,4)5/h4-13H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyXQEUHZCAQYDLNW-UHFFFAOYSA-M
MW406.82 g/mol
LogP0.46
Rot. Bonds4

About 2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate

2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate (PubChem CID 12779622) has the molecular formula C20H19ClO7 and a molecular weight of 406.82 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate
PubChem CID12779622
Molecular FormulaC20H19ClO7
Molecular Weight406.82 g/mol
Exact Mass406.08
IUPAC Name2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate
SMILESCOc1ccc(-c2cc(C)[o+]c(-c3ccc(OC)cc3)c2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C20H19O3.ClHO4/c1-14-12-17(15-4-8-18(21-2)9-5-15)13-20(23-14)16-6-10-19(22-3)11-7-16;2-1(3,4)5/h4-13H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyXQEUHZCAQYDLNW-UHFFFAOYSA-M
XLogP0.46
TPSA122.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.82
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
2,4-bis(4-methoxyphenyl)pyrylium perchlorate
CID 2751505
2-methyl-4,6-bis(4-propoxyphenyl)pyrylium
CID 3092041
2,4-bis(3,4-dichlorophenyl)-6-methylpyrylium perchlorate
CID 44887847
2,4-bis(4-decoxyphenyl)-6-methylpyrylium
CID 4582686
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate
CID 134909296
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium;trifluoromethanesulfonate
CID 44888171
2-(4-methoxyphenyl)pyrylium perchlorate
CID 139687640
2,4,6-tris(4-methylphenyl)pyrylium
CID 3723959
[4-(2,6-diphenylpyrylium-4-yl)phenyl] acetate perchlorate
CID 13402286
2,6-bis(4-methoxyphenyl)-4-(3-nitrophenyl)pyrylium
CID 134912639

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate?
The IUPAC name of 2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate (CID 12779622) is 2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate.
What is the SMILES notation for 2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate?
The canonical SMILES for 2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate is COc1ccc(-c2cc(C)[o+]c(-c3ccc(OC)cc3)c2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate?
The InChIKey is XQEUHZCAQYDLNW-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19O3.ClHO4/c1-14-12-17(15-4-8-18(21-2)9-5-15)13-20(23-14)16-6-10-19(22-3)11-7-16;2-1(3,4)5/h4-13H,1-3H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate?
2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate has a molecular weight of 406.82 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate is sourced from PubChem (CID 12779622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).