(4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium

C20H26IO+ — CID 89019643

IUPAC(4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
SMILESCCCCCOc1ccc([I+]c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H26IO/c1-5-6-7-12-22-19-10-8-18(9-11-19)21-20-16(3)13-15(2)14-17(20)4/h8-11,13-14H,5-7,12H2,1-4H3/q+1
InChIKeyZZTZUSWYWDDNHP-UHFFFAOYSA-N
MW409.33 g/mol
LogP2.31
Rot. Bonds7

About (4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium

(4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium (PubChem CID 89019643) has the molecular formula C20H26IO+ and a molecular weight of 409.33 g/mol. Its IUPAC name is (4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium.

Molecular Properties

Compound Name(4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
PubChem CID89019643
Molecular FormulaC20H26IO+
Molecular Weight409.33 g/mol
Exact Mass409.10
IUPAC Name(4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
SMILESCCCCCOc1ccc([I+]c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H26IO/c1-5-6-7-12-22-19-10-8-18(9-11-19)21-20-16(3)13-15(2)14-17(20)4/h8-11,13-14H,5-7,12H2,1-4H3/q+1
InChIKeyZZTZUSWYWDDNHP-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-decoxyphenyl)-(4-methoxy-2,6-dimethylphenyl)iodanium
CID 87172585
(4-butoxy-2-methylphenyl)-(4-dodecoxyphenyl)iodanium
CID 89019651
1,4-dipentoxybenzene
CID 18314717
1,3,5-trimethyl-2-(4-pentoxyphenyl)sulfanylbenzene
CID 129045987
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
(4-hexoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium hexafluorophosphate
CID 162062630
(4-octadecoxyphenyl)-phenyliodanium hexafluorophosphate
CID 22342087
4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 4935004
lithium (4-pentoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514482
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189

Frequently Asked Questions

What is the IUPAC name of (4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium?
The IUPAC name of (4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium (CID 89019643) is (4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium.
What is the SMILES notation for (4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium?
The canonical SMILES for (4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium is CCCCCOc1ccc([I+]c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of (4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium?
The InChIKey is ZZTZUSWYWDDNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26IO/c1-5-6-7-12-22-19-10-8-18(9-11-19)21-20-16(3)13-15(2)14-17(20)4/h8-11,13-14H,5-7,12H2,1-4H3/q+1.
What are the key properties of (4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium?
(4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium has a molecular weight of 409.33 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium is sourced from PubChem (CID 89019643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).