bis[5-(2-methylphenoxy)thiophen-2-yl]iodanium

C22H18IO2S2+ — CID 139729010

IUPACbis[5-(2-methylphenoxy)thiophen-2-yl]iodanium
SMILESCc1ccccc1Oc1ccc([I+]c2ccc(Oc3ccccc3C)s2)s1
InChIInChI=1S/C22H18IO2S2/c1-15-7-3-5-9-17(15)24-21-13-11-19(26-21)23-20-12-14-22(27-20)25-18-10-6-4-8-16(18)2/h3-14H,1-2H3/q+1
InChIKeyDPQQXTDKCNEARU-UHFFFAOYSA-N
MW505.42 g/mol
LogP4.14
Rot. Bonds6

About bis[5-(2-methylphenoxy)thiophen-2-yl]iodanium

bis[5-(2-methylphenoxy)thiophen-2-yl]iodanium (PubChem CID 139729010) has the molecular formula C22H18IO2S2+ and a molecular weight of 505.42 g/mol. Its IUPAC name is bis[5-(2-methylphenoxy)thiophen-2-yl]iodanium.

Molecular Properties

Compound Namebis[5-(2-methylphenoxy)thiophen-2-yl]iodanium
PubChem CID139729010
Molecular FormulaC22H18IO2S2+
Molecular Weight505.42 g/mol
Exact Mass504.98
IUPAC Namebis[5-(2-methylphenoxy)thiophen-2-yl]iodanium
SMILESCc1ccccc1Oc1ccc([I+]c2ccc(Oc3ccccc3C)s2)s1
InChIInChI=1S/C22H18IO2S2/c1-15-7-3-5-9-17(15)24-21-13-11-19(26-21)23-20-12-14-22(27-20)25-18-10-6-4-8-16(18)2/h3-14H,1-2H3/q+1
InChIKeyDPQQXTDKCNEARU-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
5-chloro-2-(2-methylphenoxy)-1,3-thiazole
CID 117260285
1,2,3-tris(2-methylphenoxy)benzene
CID 139940567
ethane;1-methyl-2-phenoxybenzene
CID 90950955
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
3,5-dimethyl-4-(2-methylphenoxy)phenol
CID 18994525
5-chloro-3-(2-methylphenoxy)pyridazine
CID 23013925
1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
CID 141213326
1,4-dimethoxy-2-(2-methylphenoxy)benzene
CID 173173641
1-chloro-2-(2-methylphenoxy)-4-nitronaphthalene
CID 156716095

Frequently Asked Questions

What is the IUPAC name of bis[5-(2-methylphenoxy)thiophen-2-yl]iodanium?
The IUPAC name of bis[5-(2-methylphenoxy)thiophen-2-yl]iodanium (CID 139729010) is bis[5-(2-methylphenoxy)thiophen-2-yl]iodanium.
What is the SMILES notation for bis[5-(2-methylphenoxy)thiophen-2-yl]iodanium?
The canonical SMILES for bis[5-(2-methylphenoxy)thiophen-2-yl]iodanium is Cc1ccccc1Oc1ccc([I+]c2ccc(Oc3ccccc3C)s2)s1.
What is the InChIKey of bis[5-(2-methylphenoxy)thiophen-2-yl]iodanium?
The InChIKey is DPQQXTDKCNEARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18IO2S2/c1-15-7-3-5-9-17(15)24-21-13-11-19(26-21)23-20-12-14-22(27-20)25-18-10-6-4-8-16(18)2/h3-14H,1-2H3/q+1.
What are the key properties of bis[5-(2-methylphenoxy)thiophen-2-yl]iodanium?
bis[5-(2-methylphenoxy)thiophen-2-yl]iodanium has a molecular weight of 505.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[5-(2-methylphenoxy)thiophen-2-yl]iodanium is sourced from PubChem (CID 139729010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).