[4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium

C10H12IO2+ — CID 142822061

IUPAC[4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium
SMILESCOC(=O)Cc1ccc([IH+])c(C)c1
InChIInChI=1S/C10H12IO2/c1-7-5-8(3-4-9(7)11)6-10(12)13-2/h3-5,11H,6H2,1-2H3/q+1
InChIKeyCQUUTYKFVDUEFZ-UHFFFAOYSA-N
MW291.11 g/mol
LogP-1.83
Rot. Bonds2

About [4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium

[4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium (PubChem CID 142822061) has the molecular formula C10H12IO2+ and a molecular weight of 291.11 g/mol. Its IUPAC name is [4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium.

Molecular Properties

Compound Name[4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium
PubChem CID142822061
Molecular FormulaC10H12IO2+
Molecular Weight291.11 g/mol
Exact Mass290.99
IUPAC Name[4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium
SMILESCOC(=O)Cc1ccc([IH+])c(C)c1
InChIInChI=1S/C10H12IO2/c1-7-5-8(3-4-9(7)11)6-10(12)13-2/h3-5,11H,6H2,1-2H3/q+1
InChIKeyCQUUTYKFVDUEFZ-UHFFFAOYSA-N
XLogP-1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 5-1.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(2-methoxy-2-oxoethyl)-2-methylphenyl]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

methyl 4-(2-methoxy-2-oxoethyl)-2-methylbenzoate
CID 171792318
methyl 2-[7-(2-methoxy-2-oxoethyl)thianthren-2-yl]acetate
CID 19906740
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
CID 143366295
sodium 2,4-bis(2-methoxy-2-oxoethyl)phenolate
CID 162321881
CID 89359117
CID 89359117
2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid
CID 163291974
methyl 2-(4-amino-3-iodophenyl)acetate
CID 46941390
[2-chloro-4-(2-methoxy-2-oxoethyl)phenyl]boronic acid
CID 59627663
methyl 2-quinazolin-6-ylacetate
CID 67429396
methyl 2-[4-(methylaminomethyl)phenyl]acetate
CID 23594251
sodium 4-(2-methoxy-2-oxoethyl)phenolate
CID 70152543

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium?
The IUPAC name of [4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium (CID 142822061) is [4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium.
What is the SMILES notation for [4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium?
The canonical SMILES for [4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium is COC(=O)Cc1ccc([IH+])c(C)c1.
What is the InChIKey of [4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium?
The InChIKey is CQUUTYKFVDUEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IO2/c1-7-5-8(3-4-9(7)11)6-10(12)13-2/h3-5,11H,6H2,1-2H3/q+1.
What are the key properties of [4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium?
[4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium has a molecular weight of 291.11 g/mol, XLogP of -1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium is sourced from PubChem (CID 142822061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).