1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate

C15H15ClO7 — CID 134909296

IUPAC1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate
SMILESCOc1ccc(-c2ccc(C(C)=O)c(C)[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H15O3.ClHO4/c1-10(16)14-8-9-15(18-11(14)2)12-4-6-13(17-3)7-5-12;2-1(3,4)5/h4-9H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyXAOFQRHTGJUDQV-UHFFFAOYSA-M
MW342.73 g/mol
LogP-1.01
Rot. Bonds3

About 1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate

1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate (PubChem CID 134909296) has the molecular formula C15H15ClO7 and a molecular weight of 342.73 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate
PubChem CID134909296
Molecular FormulaC15H15ClO7
Molecular Weight342.73 g/mol
Exact Mass342.05
IUPAC Name1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate
SMILESCOc1ccc(-c2ccc(C(C)=O)c(C)[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H15O3.ClHO4/c1-10(16)14-8-9-15(18-11(14)2)12-4-6-13(17-3)7-5-12;2-1(3,4)5/h4-9H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyXAOFQRHTGJUDQV-UHFFFAOYSA-M
XLogP-1.01
TPSA129.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.73
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate
CID 12779622
1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
CID 14640948
2,3-difluoro-4-(4-methoxyphenyl)benzoic acid
CID 19911004
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
2-(4-methoxyphenyl)pyrylium perchlorate
CID 139687640
1-[2-(4-fluorophenyl)-5-methoxyphenyl]ethanone
CID 175647071
[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenyl]phenyl]ethanone
CID 158374432
[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenyl)phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylphenoxy)benzoyl]phenoxy]benzoyl]phenyl]ethanone;1-[4-[4-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone
CID 158259629
methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate
CID 146165919
hexakis(2-acetyl-5-methoxyphenolate);tris(manganese(2+))
CID 139070317
2-iodo-4-(4-methoxyphenyl)-3-methylbenzoic acid
CID 67513118
2,4-bis(4-methoxyphenyl)pyrylium perchlorate
CID 2751505

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate?
The IUPAC name of 1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate (CID 134909296) is 1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate?
The canonical SMILES for 1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate is COc1ccc(-c2ccc(C(C)=O)c(C)[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate?
The InChIKey is XAOFQRHTGJUDQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15O3.ClHO4/c1-10(16)14-8-9-15(18-11(14)2)12-4-6-13(17-3)7-5-12;2-1(3,4)5/h4-9H,1-3H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate?
1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate has a molecular weight of 342.73 g/mol, XLogP of -1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)-2-methylpyrylium-3-yl]ethanone perchlorate is sourced from PubChem (CID 134909296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).