2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium

C22H23O3+ — CID 163488214

IUPAC2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium
SMILESCOc1ccc(Cc2cc(C)[o+]c(Cc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C22H23O3/c1-16-12-19(13-17-4-8-20(23-2)9-5-17)15-22(25-16)14-18-6-10-21(24-3)11-7-18/h4-12,15H,13-14H2,1-3H3/q+1
InChIKeyNVBVZTXXPYHPAM-UHFFFAOYSA-N
MW335.42 g/mol
LogP5.07
Rot. Bonds6

About 2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium

2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium (PubChem CID 163488214) has the molecular formula C22H23O3+ and a molecular weight of 335.42 g/mol. Its IUPAC name is 2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium.

Molecular Properties

Compound Name2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium
PubChem CID163488214
Molecular FormulaC22H23O3+
Molecular Weight335.42 g/mol
Exact Mass335.16
IUPAC Name2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium
SMILESCOc1ccc(Cc2cc(C)[o+]c(Cc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C22H23O3/c1-16-12-19(13-17-4-8-20(23-2)9-5-17)15-22(25-16)14-18-6-10-21(24-3)11-7-18/h4-12,15H,13-14H2,1-3H3/q+1
InChIKeyNVBVZTXXPYHPAM-UHFFFAOYSA-N
XLogP5.07
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium?
The IUPAC name of 2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium (CID 163488214) is 2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium.
What is the SMILES notation for 2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium?
The canonical SMILES for 2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium is COc1ccc(Cc2cc(C)[o+]c(Cc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium?
The InChIKey is NVBVZTXXPYHPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O3/c1-16-12-19(13-17-4-8-20(23-2)9-5-17)15-22(25-16)14-18-6-10-21(24-3)11-7-18/h4-12,15H,13-14H2,1-3H3/q+1.
What are the key properties of 2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium?
2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium has a molecular weight of 335.42 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(4-methoxyphenyl)methyl]-6-methylpyrylium is sourced from PubChem (CID 163488214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).