4-(4-butylphenyl)-2,6-dimethylpyrylium

C17H21O+ — CID 101036687

IUPAC4-(4-butylphenyl)-2,6-dimethylpyrylium
SMILESCCCCc1ccc(-c2cc(C)[o+]c(C)c2)cc1
InChIInChI=1S/C17H21O/c1-4-5-6-15-7-9-16(10-8-15)17-11-13(2)18-14(3)12-17/h7-12H,4-6H2,1-3H3/q+1
InChIKeyVKTALUQCWUKCGA-UHFFFAOYSA-N
MW241.35 g/mol
LogP5.19
Rot. Bonds4

About 4-(4-butylphenyl)-2,6-dimethylpyrylium

4-(4-butylphenyl)-2,6-dimethylpyrylium (PubChem CID 101036687) has the molecular formula C17H21O+ and a molecular weight of 241.35 g/mol. Its IUPAC name is 4-(4-butylphenyl)-2,6-dimethylpyrylium.

Molecular Properties

Compound Name4-(4-butylphenyl)-2,6-dimethylpyrylium
PubChem CID101036687
Molecular FormulaC17H21O+
Molecular Weight241.35 g/mol
Exact Mass241.16
IUPAC Name4-(4-butylphenyl)-2,6-dimethylpyrylium
SMILESCCCCc1ccc(-c2cc(C)[o+]c(C)c2)cc1
InChIInChI=1S/C17H21O/c1-4-5-6-15-7-9-16(10-8-15)17-11-13(2)18-14(3)12-17/h7-12H,4-6H2,1-3H3/q+1
InChIKeyVKTALUQCWUKCGA-UHFFFAOYSA-N
XLogP5.19
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.35
LogP ≤ 55.19
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

1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
CID 123525703
1,2,3-trimethyl-5-[4-(4-pentylphenyl)phenyl]benzene
CID 20683488
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
1-butyl-4-phenylbenzene;ethane
CID 143743409
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
CID 158517315
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene
CID 159588973

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-2,6-dimethylpyrylium?
The IUPAC name of 4-(4-butylphenyl)-2,6-dimethylpyrylium (CID 101036687) is 4-(4-butylphenyl)-2,6-dimethylpyrylium.
What is the SMILES notation for 4-(4-butylphenyl)-2,6-dimethylpyrylium?
The canonical SMILES for 4-(4-butylphenyl)-2,6-dimethylpyrylium is CCCCc1ccc(-c2cc(C)[o+]c(C)c2)cc1.
What is the InChIKey of 4-(4-butylphenyl)-2,6-dimethylpyrylium?
The InChIKey is VKTALUQCWUKCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O/c1-4-5-6-15-7-9-16(10-8-15)17-11-13(2)18-14(3)12-17/h7-12H,4-6H2,1-3H3/q+1.
What are the key properties of 4-(4-butylphenyl)-2,6-dimethylpyrylium?
4-(4-butylphenyl)-2,6-dimethylpyrylium has a molecular weight of 241.35 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-2,6-dimethylpyrylium is sourced from PubChem (CID 101036687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).