2-methyl-4,6-bis(4-propoxyphenyl)pyrylium

C24H27O3+ — CID 3092041

IUPAC2-methyl-4,6-bis(4-propoxyphenyl)pyrylium
SMILESCCCOc1ccc(-c2cc(C)[o+]c(-c3ccc(OCCC)cc3)c2)cc1
InChIInChI=1S/C24H27O3/c1-4-14-25-22-10-6-19(7-11-22)21-16-18(3)27-24(17-21)20-8-12-23(13-9-20)26-15-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3/q+1
InChIKeyACVODYJYDSMSPC-UHFFFAOYSA-N
MW363.48 g/mol
LogP6.78
Rot. Bonds8

About 2-methyl-4,6-bis(4-propoxyphenyl)pyrylium

2-methyl-4,6-bis(4-propoxyphenyl)pyrylium (PubChem CID 3092041) has the molecular formula C24H27O3+ and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-methyl-4,6-bis(4-propoxyphenyl)pyrylium.

Molecular Properties

Compound Name2-methyl-4,6-bis(4-propoxyphenyl)pyrylium
PubChem CID3092041
Molecular FormulaC24H27O3+
Molecular Weight363.48 g/mol
Exact Mass363.20
IUPAC Name2-methyl-4,6-bis(4-propoxyphenyl)pyrylium
SMILESCCCOc1ccc(-c2cc(C)[o+]c(-c3ccc(OCCC)cc3)c2)cc1
InChIInChI=1S/C24H27O3/c1-4-14-25-22-10-6-19(7-11-22)21-16-18(3)27-24(17-21)20-8-12-23(13-9-20)26-15-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3/q+1
InChIKeyACVODYJYDSMSPC-UHFFFAOYSA-N
XLogP6.78
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 56.78
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-methyl-4,6-bis(4-propoxyphenyl)pyrylium?
The IUPAC name of 2-methyl-4,6-bis(4-propoxyphenyl)pyrylium (CID 3092041) is 2-methyl-4,6-bis(4-propoxyphenyl)pyrylium.
What is the SMILES notation for 2-methyl-4,6-bis(4-propoxyphenyl)pyrylium?
The canonical SMILES for 2-methyl-4,6-bis(4-propoxyphenyl)pyrylium is CCCOc1ccc(-c2cc(C)[o+]c(-c3ccc(OCCC)cc3)c2)cc1.
What is the InChIKey of 2-methyl-4,6-bis(4-propoxyphenyl)pyrylium?
The InChIKey is ACVODYJYDSMSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O3/c1-4-14-25-22-10-6-19(7-11-22)21-16-18(3)27-24(17-21)20-8-12-23(13-9-20)26-15-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3/q+1.
What are the key properties of 2-methyl-4,6-bis(4-propoxyphenyl)pyrylium?
2-methyl-4,6-bis(4-propoxyphenyl)pyrylium has a molecular weight of 363.48 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-bis(4-propoxyphenyl)pyrylium is sourced from PubChem (CID 3092041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).