2,3,5,6-tetramethyl-4-phenylpyrylium

C15H17O+ — CID 23254471

IUPAC2,3,5,6-tetramethyl-4-phenylpyrylium
SMILESCc1[o+]c(C)c(C)c(-c2ccccc2)c1C
InChIInChI=1S/C15H17O/c1-10-12(3)16-13(4)11(2)15(10)14-8-6-5-7-9-14/h5-9H,1-4H3/q+1
InChIKeyHTHSCOHYZHVIAZ-UHFFFAOYSA-N
MW213.30 g/mol
LogP4.46
Rot. Bonds1

About 2,3,5,6-tetramethyl-4-phenylpyrylium

2,3,5,6-tetramethyl-4-phenylpyrylium (PubChem CID 23254471) has the molecular formula C15H17O+ and a molecular weight of 213.30 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-4-phenylpyrylium.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-4-phenylpyrylium
PubChem CID23254471
Molecular FormulaC15H17O+
Molecular Weight213.30 g/mol
Exact Mass213.13
IUPAC Name2,3,5,6-tetramethyl-4-phenylpyrylium
SMILESCc1[o+]c(C)c(C)c(-c2ccccc2)c1C
InChIInChI=1S/C15H17O/c1-10-12(3)16-13(4)11(2)15(10)14-8-6-5-7-9-14/h5-9H,1-4H3/q+1
InChIKeyHTHSCOHYZHVIAZ-UHFFFAOYSA-N
XLogP4.46
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 54.46
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

ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
1-ethyl-2,4-dimethyl-3,5-diphenylbenzene
CID 173306034
3,5-dimethyl-2,4,6-triphenylpyridin-1-ium
CID 100929279
1,2,3,4,5,6,8-heptamethyl-7,9,10-triphenylanthracene
CID 59002262
1-fluoro-2-methyl-3,4-diphenylbenzene
CID 90266529
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene
CID 141298222

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-4-phenylpyrylium?
The IUPAC name of 2,3,5,6-tetramethyl-4-phenylpyrylium (CID 23254471) is 2,3,5,6-tetramethyl-4-phenylpyrylium.
What is the SMILES notation for 2,3,5,6-tetramethyl-4-phenylpyrylium?
The canonical SMILES for 2,3,5,6-tetramethyl-4-phenylpyrylium is Cc1[o+]c(C)c(C)c(-c2ccccc2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-4-phenylpyrylium?
The InChIKey is HTHSCOHYZHVIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O/c1-10-12(3)16-13(4)11(2)15(10)14-8-6-5-7-9-14/h5-9H,1-4H3/q+1.
What are the key properties of 2,3,5,6-tetramethyl-4-phenylpyrylium?
2,3,5,6-tetramethyl-4-phenylpyrylium has a molecular weight of 213.30 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-4-phenylpyrylium is sourced from PubChem (CID 23254471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).