2-iodo-3,3-dimethyl-1,2-dihydroindene

C11H13I — CID 70493700

IUPAC2-iodo-3,3-dimethyl-1,2-dihydroindene
SMILESCC1(C)c2ccccc2CC1I
InChIInChI=1S/C11H13I/c1-11(2)9-6-4-3-5-8(9)7-10(11)12/h3-6,10H,7H2,1-2H3
InChIKeyRPTOOQYXYYLFQB-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.32
Rot. Bonds

About 2-iodo-3,3-dimethyl-1,2-dihydroindene

2-iodo-3,3-dimethyl-1,2-dihydroindene (PubChem CID 70493700) has the molecular formula C11H13I and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-iodo-3,3-dimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name2-iodo-3,3-dimethyl-1,2-dihydroindene
PubChem CID70493700
Molecular FormulaC11H13I
Molecular Weight272.13 g/mol
Exact Mass272.01
IUPAC Name2-iodo-3,3-dimethyl-1,2-dihydroindene
SMILESCC1(C)c2ccccc2CC1I
InChIInChI=1S/C11H13I/c1-11(2)9-6-4-3-5-8(9)7-10(11)12/h3-6,10H,7H2,1-2H3
InChIKeyRPTOOQYXYYLFQB-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-iodo-3,3-dimethyl-1,2-dihydroindene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3,3-dimethyl-1,2-dihydroindene?
The IUPAC name of 2-iodo-3,3-dimethyl-1,2-dihydroindene (CID 70493700) is 2-iodo-3,3-dimethyl-1,2-dihydroindene.
What is the SMILES notation for 2-iodo-3,3-dimethyl-1,2-dihydroindene?
The canonical SMILES for 2-iodo-3,3-dimethyl-1,2-dihydroindene is CC1(C)c2ccccc2CC1I.
What is the InChIKey of 2-iodo-3,3-dimethyl-1,2-dihydroindene?
The InChIKey is RPTOOQYXYYLFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13I/c1-11(2)9-6-4-3-5-8(9)7-10(11)12/h3-6,10H,7H2,1-2H3.
What are the key properties of 2-iodo-3,3-dimethyl-1,2-dihydroindene?
2-iodo-3,3-dimethyl-1,2-dihydroindene has a molecular weight of 272.13 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3,3-dimethyl-1,2-dihydroindene is sourced from PubChem (CID 70493700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).