(4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium

C22H30IO+ — CID 102410678

IUPAC(4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium
SMILESCOc1ccc([I+]c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1
InChIInChI=1S/C22H30IO/c1-14(2)17-12-20(15(3)4)22(21(13-17)16(5)6)23-18-8-10-19(24-7)11-9-18/h8-16H,1-7H3/q+1
InChIKeyQAXIAHAFZZIAJX-UHFFFAOYSA-N
MW437.39 g/mol
LogP3.19
Rot. Bonds6

About (4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium

(4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium (PubChem CID 102410678) has the molecular formula C22H30IO+ and a molecular weight of 437.39 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium
PubChem CID102410678
Molecular FormulaC22H30IO+
Molecular Weight437.39 g/mol
Exact Mass437.13
IUPAC Name(4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium
SMILESCOc1ccc([I+]c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1
InChIInChI=1S/C22H30IO/c1-14(2)17-12-20(15(3)4)22(21(13-17)16(5)6)23-18-8-10-19(24-7)11-9-18/h8-16H,1-7H3/q+1
InChIKeyQAXIAHAFZZIAJX-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium
CID 122206249
bis(4-methoxy-2-propan-2-ylphenyl)iodanium
CID 87757693
bis(4-methoxyphenyl)iodanium;hydrobromide
CID 54610326
(4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
CID 10766616
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
(4-nitrophenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium;trifluoromethanesulfonate
CID 24939027
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
CID 173216110
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 20755055
1-methoxy-4-(3-propan-2-ylphenyl)benzene
CID 20871880
3,6-dimethoxy-2-propan-2-ylnaphthalene
CID 71390395

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium?
The IUPAC name of (4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium (CID 102410678) is (4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium.
What is the SMILES notation for (4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium?
The canonical SMILES for (4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium is COc1ccc([I+]c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium?
The InChIKey is QAXIAHAFZZIAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30IO/c1-14(2)17-12-20(15(3)4)22(21(13-17)16(5)6)23-18-8-10-19(24-7)11-9-18/h8-16H,1-7H3/q+1.
What are the key properties of (4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium?
(4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium has a molecular weight of 437.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium is sourced from PubChem (CID 102410678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).