2,4-bis(4-methoxyphenyl)pyrylium perchlorate

C19H17ClO7 — CID 2751505

IUPAC2,4-bis(4-methoxyphenyl)pyrylium perchlorate
SMILESCOc1ccc(-c2cc[o+]c(-c3ccc(OC)cc3)c2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C19H17O3.ClHO4/c1-20-17-7-3-14(4-8-17)16-11-12-22-19(13-16)15-5-9-18(21-2)10-6-15;2-1(3,4)5/h3-13H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyTYFCRMRPTHZCCD-UHFFFAOYSA-M
MW392.79 g/mol
LogP0.16
Rot. Bonds4

About 2,4-bis(4-methoxyphenyl)pyrylium perchlorate

2,4-bis(4-methoxyphenyl)pyrylium perchlorate (PubChem CID 2751505) has the molecular formula C19H17ClO7 and a molecular weight of 392.79 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenyl)pyrylium perchlorate.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenyl)pyrylium perchlorate
PubChem CID2751505
Molecular FormulaC19H17ClO7
Molecular Weight392.79 g/mol
Exact Mass392.07
IUPAC Name2,4-bis(4-methoxyphenyl)pyrylium perchlorate
SMILESCOc1ccc(-c2cc[o+]c(-c3ccc(OC)cc3)c2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C19H17O3.ClHO4/c1-20-17-7-3-14(4-8-17)16-11-12-22-19(13-16)15-5-9-18(21-2)10-6-15;2-1(3,4)5/h3-13H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyTYFCRMRPTHZCCD-UHFFFAOYSA-M
XLogP0.16
TPSA122.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.79
LogP ≤ 50.16
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-methoxyphenyl)pyrylium perchlorate
CID 139687640
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate
CID 12779622
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
2-(4-chlorophenyl)-7-methoxynaphthalene
CID 54239176
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene
CID 162716901

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyphenyl)pyrylium perchlorate?
The IUPAC name of 2,4-bis(4-methoxyphenyl)pyrylium perchlorate (CID 2751505) is 2,4-bis(4-methoxyphenyl)pyrylium perchlorate.
What is the SMILES notation for 2,4-bis(4-methoxyphenyl)pyrylium perchlorate?
The canonical SMILES for 2,4-bis(4-methoxyphenyl)pyrylium perchlorate is COc1ccc(-c2cc[o+]c(-c3ccc(OC)cc3)c2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2,4-bis(4-methoxyphenyl)pyrylium perchlorate?
The InChIKey is TYFCRMRPTHZCCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17O3.ClHO4/c1-20-17-7-3-14(4-8-17)16-11-12-22-19(13-16)15-5-9-18(21-2)10-6-15;2-1(3,4)5/h3-13H,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2,4-bis(4-methoxyphenyl)pyrylium perchlorate?
2,4-bis(4-methoxyphenyl)pyrylium perchlorate has a molecular weight of 392.79 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyphenyl)pyrylium perchlorate is sourced from PubChem (CID 2751505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).