2,6-diethyl-4-phenylpyrylium

C15H17O+ — CID 15193558

IUPAC2,6-diethyl-4-phenylpyrylium
SMILESCCc1cc(-c2ccccc2)cc(CC)[o+]1
InChIInChI=1S/C15H17O/c1-3-14-10-13(11-15(4-2)16-14)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/q+1
InChIKeyUHQBECOAFCQILJ-UHFFFAOYSA-N
MW213.30 g/mol
LogP4.35
Rot. Bonds3

About 2,6-diethyl-4-phenylpyrylium

2,6-diethyl-4-phenylpyrylium (PubChem CID 15193558) has the molecular formula C15H17O+ and a molecular weight of 213.30 g/mol. Its IUPAC name is 2,6-diethyl-4-phenylpyrylium.

Molecular Properties

Compound Name2,6-diethyl-4-phenylpyrylium
PubChem CID15193558
Molecular FormulaC15H17O+
Molecular Weight213.30 g/mol
Exact Mass213.13
IUPAC Name2,6-diethyl-4-phenylpyrylium
SMILESCCc1cc(-c2ccccc2)cc(CC)[o+]1
InChIInChI=1S/C15H17O/c1-3-14-10-13(11-15(4-2)16-14)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/q+1
InChIKeyUHQBECOAFCQILJ-UHFFFAOYSA-N
XLogP4.35
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250
ethane;1,3,5-triphenylbenzene
CID 142123051
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
2,4,6-triethylpyrylium
CID 4610662
1,1'-biphenyl;chlorophosphane;nickel;propane
CID 173340359
azane;1,1'-biphenyl;butane
CID 155168826
1,1'-biphenyl;methanol;propane
CID 91033003
1-ethyl-2,4-diphenylbenzene
CID 59359551
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
(2-ethyl-3,5-diphenylphenyl)methanol
CID 172831551

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-phenylpyrylium?
The IUPAC name of 2,6-diethyl-4-phenylpyrylium (CID 15193558) is 2,6-diethyl-4-phenylpyrylium.
What is the SMILES notation for 2,6-diethyl-4-phenylpyrylium?
The canonical SMILES for 2,6-diethyl-4-phenylpyrylium is CCc1cc(-c2ccccc2)cc(CC)[o+]1.
What is the InChIKey of 2,6-diethyl-4-phenylpyrylium?
The InChIKey is UHQBECOAFCQILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O/c1-3-14-10-13(11-15(4-2)16-14)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/q+1.
What are the key properties of 2,6-diethyl-4-phenylpyrylium?
2,6-diethyl-4-phenylpyrylium has a molecular weight of 213.30 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-phenylpyrylium is sourced from PubChem (CID 15193558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).