(3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium

C13H10Cl2IO+ — CID 6333148

IUPAC(3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium
SMILESCOc1ccc([I+]c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C13H10Cl2IO/c1-17-13-6-5-11(8-12(13)15)16-10-4-2-3-9(14)7-10/h2-8H,1H3/q+1
InChIKeyDWMONDBPPFJDBN-UHFFFAOYSA-N
MW380.03 g/mol
LogP1.13
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium

(3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium (PubChem CID 6333148) has the molecular formula C13H10Cl2IO+ and a molecular weight of 380.03 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium
PubChem CID6333148
Molecular FormulaC13H10Cl2IO+
Molecular Weight380.03 g/mol
Exact Mass378.91
IUPAC Name(3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium
SMILESCOc1ccc([I+]c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C13H10Cl2IO/c1-17-13-6-5-11(8-12(13)15)16-10-4-2-3-9(14)7-10/h2-8H,1H3/q+1
InChIKeyDWMONDBPPFJDBN-UHFFFAOYSA-N
XLogP1.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.03
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 43480965
1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea
CID 19677525
2,4-dichloro-1-(trideuteriomethoxy)benzene
CID 141358841
(3-chloro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium;trifluoromethanesulfonate
CID 175669123
4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877975
5-(3-chloro-4-methoxyphenyl)cyclohexane-1,3-dione
CID 81340530
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149
N-(3-chloro-4-methoxyphenyl)propan-2-imine
CID 11745602
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)ethanol
CID 65026318
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)prop-2-enoic acid
CID 83955993
(3-chloro-4-methoxyphenyl)-[2-(3-chlorophenyl)-1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxopyrrolidin-3-ylidene]methanolate
CID 4005911

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium (CID 6333148) is (3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium is COc1ccc([I+]c2cccc(Cl)c2)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium?
The InChIKey is DWMONDBPPFJDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2IO/c1-17-13-6-5-11(8-12(13)15)16-10-4-2-3-9(14)7-10/h2-8H,1H3/q+1.
What are the key properties of (3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium?
(3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium has a molecular weight of 380.03 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium is sourced from PubChem (CID 6333148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).