2-iodo-1-(methoxymethyl)indole

C10H10INO — CID 76846488

IUPAC2-iodo-1-(methoxymethyl)indole
SMILESCOCn1c(I)cc2ccccc21
InChIInChI=1S/C10H10INO/c1-13-7-12-9-5-3-2-4-8(9)6-10(12)11/h2-6H,7H2,1H3
InChIKeyNMUFLERLYCGLRA-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.85
Rot. Bonds2

About 2-iodo-1-(methoxymethyl)indole

2-iodo-1-(methoxymethyl)indole (PubChem CID 76846488) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is 2-iodo-1-(methoxymethyl)indole.

Molecular Properties

Compound Name2-iodo-1-(methoxymethyl)indole
PubChem CID76846488
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC Name2-iodo-1-(methoxymethyl)indole
SMILESCOCn1c(I)cc2ccccc21
InChIInChI=1S/C10H10INO/c1-13-7-12-9-5-3-2-4-8(9)6-10(12)11/h2-6H,7H2,1H3
InChIKeyNMUFLERLYCGLRA-UHFFFAOYSA-N
XLogP2.85
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodo-1-(methoxymethyl)indole 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

2-tert-butyl-1-(methoxymethyl)indole
CID 25156356
2-(Diethylsilyl)-1-(methoxymethyl)-1H-indole
CID 137198218
1-(methoxymethyl)-2-(4-methoxyphenyl)indole
CID 177434796
2-iodo-1-(pyridin-4-ylmethyl)indole
CID 145189554
methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate
CID 59052334
tert-butyl 3-iodo-2-[1-(methoxymethyl)indol-2-yl]indole-1-carboxylate
CID 101107067
1-(methoxymethyl)benzimidazol-2-amine
CID 12808407
1-(2-fluoroethyl)-2-methoxyindole
CID 174861451
N-ethyl-1-(methoxymethyl)benzimidazol-2-amine
CID 82359568
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234
[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
2-bromo-1-ethylindole
CID 20753566

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-(methoxymethyl)indole?
The IUPAC name of 2-iodo-1-(methoxymethyl)indole (CID 76846488) is 2-iodo-1-(methoxymethyl)indole.
What is the SMILES notation for 2-iodo-1-(methoxymethyl)indole?
The canonical SMILES for 2-iodo-1-(methoxymethyl)indole is COCn1c(I)cc2ccccc21.
What is the InChIKey of 2-iodo-1-(methoxymethyl)indole?
The InChIKey is NMUFLERLYCGLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO/c1-13-7-12-9-5-3-2-4-8(9)6-10(12)11/h2-6H,7H2,1H3.
What are the key properties of 2-iodo-1-(methoxymethyl)indole?
2-iodo-1-(methoxymethyl)indole has a molecular weight of 287.10 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-(methoxymethyl)indole is sourced from PubChem (CID 76846488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).