bis(4-methoxy-2-propan-2-ylphenyl)iodanium

C20H26IO2+ — CID 87757693

IUPACbis(4-methoxy-2-propan-2-ylphenyl)iodanium
SMILESCOc1ccc([I+]c2ccc(OC)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C20H26IO2/c1-13(2)17-11-15(22-5)7-9-19(17)21-20-10-8-16(23-6)12-18(20)14(3)4/h7-14H,1-6H3/q+1
InChIKeyISFQLFRCMDNPLC-UHFFFAOYSA-N
MW425.33 g/mol
LogP2.08
Rot. Bonds6

About bis(4-methoxy-2-propan-2-ylphenyl)iodanium

bis(4-methoxy-2-propan-2-ylphenyl)iodanium (PubChem CID 87757693) has the molecular formula C20H26IO2+ and a molecular weight of 425.33 g/mol. Its IUPAC name is bis(4-methoxy-2-propan-2-ylphenyl)iodanium.

Molecular Properties

Compound Namebis(4-methoxy-2-propan-2-ylphenyl)iodanium
PubChem CID87757693
Molecular FormulaC20H26IO2+
Molecular Weight425.33 g/mol
Exact Mass425.10
IUPAC Namebis(4-methoxy-2-propan-2-ylphenyl)iodanium
SMILESCOc1ccc([I+]c2ccc(OC)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C20H26IO2/c1-13(2)17-11-15(22-5)7-9-19(17)21-20-10-8-16(23-6)12-18(20)14(3)4/h7-14H,1-6H3/q+1
InChIKeyISFQLFRCMDNPLC-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-propan-2-ylbenzenethiol
CID 130435899
(4-methoxyphenyl)-[2,4,6-tri(propan-2-yl)phenyl]iodanium
CID 102410678
1-ethenyl-4-methoxy-2-propan-2-ylbenzene
CID 22712642
bis(4-methoxy-2-propan-2-ylphenyl)methanone
CID 139968368
2-(4-methoxy-2-propan-2-ylphenyl)acetic acid
CID 82054161
1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene
CID 59664827
4-methoxy-2,6-di(propan-2-yl)phenol
CID 19994197
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 20755055
3,6-dimethoxy-2-propan-2-ylnaphthalene
CID 71390395
(2-amino-5-methoxyphenyl)-cyclopropylmethanol
CID 105447147
4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819
1-(5-methoxy-2-methylphenyl)ethanol
CID 84652412

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-2-propan-2-ylphenyl)iodanium?
The IUPAC name of bis(4-methoxy-2-propan-2-ylphenyl)iodanium (CID 87757693) is bis(4-methoxy-2-propan-2-ylphenyl)iodanium.
What is the SMILES notation for bis(4-methoxy-2-propan-2-ylphenyl)iodanium?
The canonical SMILES for bis(4-methoxy-2-propan-2-ylphenyl)iodanium is COc1ccc([I+]c2ccc(OC)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of bis(4-methoxy-2-propan-2-ylphenyl)iodanium?
The InChIKey is ISFQLFRCMDNPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26IO2/c1-13(2)17-11-15(22-5)7-9-19(17)21-20-10-8-16(23-6)12-18(20)14(3)4/h7-14H,1-6H3/q+1.
What are the key properties of bis(4-methoxy-2-propan-2-ylphenyl)iodanium?
bis(4-methoxy-2-propan-2-ylphenyl)iodanium has a molecular weight of 425.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-2-propan-2-ylphenyl)iodanium is sourced from PubChem (CID 87757693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).