4-(3-chloropropyl)-2,6-diphenylpyrylium

C20H18ClO+ — CID 134911487

IUPAC4-(3-chloropropyl)-2,6-diphenylpyrylium
SMILESClCCCc1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1
InChIInChI=1S/C20H18ClO/c21-13-7-8-16-14-19(17-9-3-1-4-10-17)22-20(15-16)18-11-5-2-6-12-18/h1-6,9-12,14-15H,7-8,13H2/q+1
InChIKeyGIAVPUBCLFWQFZ-UHFFFAOYSA-N
MW309.82 g/mol
LogP6.07
Rot. Bonds5

About 4-(3-chloropropyl)-2,6-diphenylpyrylium

4-(3-chloropropyl)-2,6-diphenylpyrylium (PubChem CID 134911487) has the molecular formula C20H18ClO+ and a molecular weight of 309.82 g/mol. Its IUPAC name is 4-(3-chloropropyl)-2,6-diphenylpyrylium.

Molecular Properties

Compound Name4-(3-chloropropyl)-2,6-diphenylpyrylium
PubChem CID134911487
Molecular FormulaC20H18ClO+
Molecular Weight309.82 g/mol
Exact Mass309.10
IUPAC Name4-(3-chloropropyl)-2,6-diphenylpyrylium
SMILESClCCCc1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1
InChIInChI=1S/C20H18ClO/c21-13-7-8-16-14-19(17-9-3-1-4-10-17)22-20(15-16)18-11-5-2-6-12-18/h1-6,9-12,14-15H,7-8,13H2/q+1
InChIKeyGIAVPUBCLFWQFZ-UHFFFAOYSA-N
XLogP6.07
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.82
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
4-chlorobutylbenzene;ethane
CID 142108519
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250
1,3,5-tris(4-chlorobutyl)benzene
CID 134887836
1-chloro-7-phenylheptan-4-ol
CID 54140253
tetraphenylboranuide;2,4,6-triphenylpyrylium
CID 139713157
1,2-dichloroethane;1,4-diphenylbenzene
CID 174576673
2-(3-chloropropyl)-1H-indole
CID 13271043
2-(chloromethyl)azulene
CID 58786145
2,4-bis(4-fluorophenyl)-6-phenylpyrylium
CID 134911591
2-octylazulene
CID 101406191
2,4-diphenyl-6-(2-phenylmethoxyphenyl)pyrylium tetrafluoroborate
CID 44888324

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-2,6-diphenylpyrylium?
The IUPAC name of 4-(3-chloropropyl)-2,6-diphenylpyrylium (CID 134911487) is 4-(3-chloropropyl)-2,6-diphenylpyrylium.
What is the SMILES notation for 4-(3-chloropropyl)-2,6-diphenylpyrylium?
The canonical SMILES for 4-(3-chloropropyl)-2,6-diphenylpyrylium is ClCCCc1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1.
What is the InChIKey of 4-(3-chloropropyl)-2,6-diphenylpyrylium?
The InChIKey is GIAVPUBCLFWQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClO/c21-13-7-8-16-14-19(17-9-3-1-4-10-17)22-20(15-16)18-11-5-2-6-12-18/h1-6,9-12,14-15H,7-8,13H2/q+1.
What are the key properties of 4-(3-chloropropyl)-2,6-diphenylpyrylium?
4-(3-chloropropyl)-2,6-diphenylpyrylium has a molecular weight of 309.82 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-2,6-diphenylpyrylium is sourced from PubChem (CID 134911487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).