6-iodo-3-methyl-3-phenyl-1,2-dihydroindene

C16H15I — CID 139551020

IUPAC6-iodo-3-methyl-3-phenyl-1,2-dihydroindene
SMILESCC1(c2ccccc2)CCc2cc(I)ccc21
InChIInChI=1S/C16H15I/c1-16(13-5-3-2-4-6-13)10-9-12-11-14(17)7-8-15(12)16/h2-8,11H,9-10H2,1H3
InChIKeyZOWXJVXIZGMNKT-UHFFFAOYSA-N
MW334.20 g/mol
LogP4.54
Rot. Bonds1

About 6-iodo-3-methyl-3-phenyl-1,2-dihydroindene

6-iodo-3-methyl-3-phenyl-1,2-dihydroindene (PubChem CID 139551020) has the molecular formula C16H15I and a molecular weight of 334.20 g/mol. Its IUPAC name is 6-iodo-3-methyl-3-phenyl-1,2-dihydroindene.

Molecular Properties

Compound Name6-iodo-3-methyl-3-phenyl-1,2-dihydroindene
PubChem CID139551020
Molecular FormulaC16H15I
Molecular Weight334.20 g/mol
Exact Mass334.02
IUPAC Name6-iodo-3-methyl-3-phenyl-1,2-dihydroindene
SMILESCC1(c2ccccc2)CCc2cc(I)ccc21
InChIInChI=1S/C16H15I/c1-16(13-5-3-2-4-6-13)10-9-12-11-14(17)7-8-15(12)16/h2-8,11H,9-10H2,1H3
InChIKeyZOWXJVXIZGMNKT-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-iodo-3-methyl-3-phenyl-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 6-iodo-3-methyl-3-phenyl-1,2-dihydroindene?
The IUPAC name of 6-iodo-3-methyl-3-phenyl-1,2-dihydroindene (CID 139551020) is 6-iodo-3-methyl-3-phenyl-1,2-dihydroindene.
What is the SMILES notation for 6-iodo-3-methyl-3-phenyl-1,2-dihydroindene?
The canonical SMILES for 6-iodo-3-methyl-3-phenyl-1,2-dihydroindene is CC1(c2ccccc2)CCc2cc(I)ccc21.
What is the InChIKey of 6-iodo-3-methyl-3-phenyl-1,2-dihydroindene?
The InChIKey is ZOWXJVXIZGMNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15I/c1-16(13-5-3-2-4-6-13)10-9-12-11-14(17)7-8-15(12)16/h2-8,11H,9-10H2,1H3.
What are the key properties of 6-iodo-3-methyl-3-phenyl-1,2-dihydroindene?
6-iodo-3-methyl-3-phenyl-1,2-dihydroindene has a molecular weight of 334.20 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-methyl-3-phenyl-1,2-dihydroindene is sourced from PubChem (CID 139551020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).