2,3-diethyl-6-phenylpyrylium perchlorate

C15H17ClO5 — CID 134911370

IUPAC2,3-diethyl-6-phenylpyrylium perchlorate
SMILESCCc1ccc(-c2ccccc2)[o+]c1CC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H17O.ClHO4/c1-3-12-10-11-15(16-14(12)4-2)13-8-6-5-7-9-13;2-1(3,4)5/h5-11H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyCPJBSVXXESMBMR-UHFFFAOYSA-M
MW312.75 g/mol
LogP-0.40
Rot. Bonds3

About 2,3-diethyl-6-phenylpyrylium perchlorate

2,3-diethyl-6-phenylpyrylium perchlorate (PubChem CID 134911370) has the molecular formula C15H17ClO5 and a molecular weight of 312.75 g/mol. Its IUPAC name is 2,3-diethyl-6-phenylpyrylium perchlorate.

Molecular Properties

Compound Name2,3-diethyl-6-phenylpyrylium perchlorate
PubChem CID134911370
Molecular FormulaC15H17ClO5
Molecular Weight312.75 g/mol
Exact Mass312.08
IUPAC Name2,3-diethyl-6-phenylpyrylium perchlorate
SMILESCCc1ccc(-c2ccccc2)[o+]c1CC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H17O.ClHO4/c1-3-12-10-11-15(16-14(12)4-2)13-8-6-5-7-9-13;2-1(3,4)5/h5-11H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyCPJBSVXXESMBMR-UHFFFAOYSA-M
XLogP-0.40
TPSA103.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-ethyl-2-phenylbenzene
CID 90346891
3-methyl-2,6-diphenylpyrylium perchlorate
CID 14568808
5-methyl-2-phenylpyrylium perchlorate
CID 134911030
1-ethyl-2,4-diphenylbenzene
CID 59359551
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
CID 67179432
2-(4-nitrophenyl)chromenylium perchlorate
CID 13045838
3-ethyl-6-(2-phenylphenyl)phthalaldehyde
CID 154432219
2,6-diethyl-3-phenylphenol
CID 101302345
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-6-phenylpyrylium perchlorate?
The IUPAC name of 2,3-diethyl-6-phenylpyrylium perchlorate (CID 134911370) is 2,3-diethyl-6-phenylpyrylium perchlorate.
What is the SMILES notation for 2,3-diethyl-6-phenylpyrylium perchlorate?
The canonical SMILES for 2,3-diethyl-6-phenylpyrylium perchlorate is CCc1ccc(-c2ccccc2)[o+]c1CC.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2,3-diethyl-6-phenylpyrylium perchlorate?
The InChIKey is CPJBSVXXESMBMR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17O.ClHO4/c1-3-12-10-11-15(16-14(12)4-2)13-8-6-5-7-9-13;2-1(3,4)5/h5-11H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2,3-diethyl-6-phenylpyrylium perchlorate?
2,3-diethyl-6-phenylpyrylium perchlorate has a molecular weight of 312.75 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-6-phenylpyrylium perchlorate is sourced from PubChem (CID 134911370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).