5-methyl-2-phenylpyrylium perchlorate

C12H11ClO5 — CID 134911030

IUPAC5-methyl-2-phenylpyrylium perchlorate
SMILESCc1ccc(-c2ccccc2)[o+]c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H11O.ClHO4/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2-1(3,4)5/h2-9H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyDADZBAXDLDOTIO-UHFFFAOYSA-M
MW270.67 g/mol
LogP-1.22
Rot. Bonds1

About 5-methyl-2-phenylpyrylium perchlorate

5-methyl-2-phenylpyrylium perchlorate (PubChem CID 134911030) has the molecular formula C12H11ClO5 and a molecular weight of 270.67 g/mol. Its IUPAC name is 5-methyl-2-phenylpyrylium perchlorate.

Molecular Properties

Compound Name5-methyl-2-phenylpyrylium perchlorate
PubChem CID134911030
Molecular FormulaC12H11ClO5
Molecular Weight270.67 g/mol
Exact Mass270.03
IUPAC Name5-methyl-2-phenylpyrylium perchlorate
SMILESCc1ccc(-c2ccccc2)[o+]c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H11O.ClHO4/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2-1(3,4)5/h2-9H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyDADZBAXDLDOTIO-UHFFFAOYSA-M
XLogP-1.22
TPSA103.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 5-1.22
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

2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
3-methyl-2,6-diphenylpyrylium perchlorate
CID 14568808
2,3-diethyl-6-phenylpyrylium perchlorate
CID 134911370
4-(4-methylphenyl)-2,3,6-triphenylpyrylium
CID 3459815
6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate
CID 12706208
6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate
CID 134911741
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
2-(4-methylphenyl)chromenylium
CID 3826710
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenylpyrylium perchlorate?
The IUPAC name of 5-methyl-2-phenylpyrylium perchlorate (CID 134911030) is 5-methyl-2-phenylpyrylium perchlorate.
What is the SMILES notation for 5-methyl-2-phenylpyrylium perchlorate?
The canonical SMILES for 5-methyl-2-phenylpyrylium perchlorate is Cc1ccc(-c2ccccc2)[o+]c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 5-methyl-2-phenylpyrylium perchlorate?
The InChIKey is DADZBAXDLDOTIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11O.ClHO4/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2-1(3,4)5/h2-9H,1H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 5-methyl-2-phenylpyrylium perchlorate?
5-methyl-2-phenylpyrylium perchlorate has a molecular weight of 270.67 g/mol, XLogP of -1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenylpyrylium perchlorate is sourced from PubChem (CID 134911030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).