2-iodo-1,3,4,5-tetramethyl-1H-indene

C13H15I — CID 174753925

IUPAC2-iodo-1,3,4,5-tetramethyl-1H-indene
SMILESCC1=C(I)C(C)c2ccc(C)c(C)c21
InChIInChI=1S/C13H15I/c1-7-5-6-11-9(3)13(14)10(4)12(11)8(7)2/h5-6,9H,1-4H3
InChIKeyYXJNPRJSLRICIQ-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.59
Rot. Bonds

About 2-iodo-1,3,4,5-tetramethyl-1H-indene

2-iodo-1,3,4,5-tetramethyl-1H-indene (PubChem CID 174753925) has the molecular formula C13H15I and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-iodo-1,3,4,5-tetramethyl-1H-indene.

Molecular Properties

Compound Name2-iodo-1,3,4,5-tetramethyl-1H-indene
PubChem CID174753925
Molecular FormulaC13H15I
Molecular Weight298.17 g/mol
Exact Mass298.02
IUPAC Name2-iodo-1,3,4,5-tetramethyl-1H-indene
SMILESCC1=C(I)C(C)c2ccc(C)c(C)c21
InChIInChI=1S/C13H15I/c1-7-5-6-11-9(3)13(14)10(4)12(11)8(7)2/h5-6,9H,1-4H3
InChIKeyYXJNPRJSLRICIQ-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1,3,4,5-tetramethyl-1H-indene?
The IUPAC name of 2-iodo-1,3,4,5-tetramethyl-1H-indene (CID 174753925) is 2-iodo-1,3,4,5-tetramethyl-1H-indene.
What is the SMILES notation for 2-iodo-1,3,4,5-tetramethyl-1H-indene?
The canonical SMILES for 2-iodo-1,3,4,5-tetramethyl-1H-indene is CC1=C(I)C(C)c2ccc(C)c(C)c21.
What is the InChIKey of 2-iodo-1,3,4,5-tetramethyl-1H-indene?
The InChIKey is YXJNPRJSLRICIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15I/c1-7-5-6-11-9(3)13(14)10(4)12(11)8(7)2/h5-6,9H,1-4H3.
What are the key properties of 2-iodo-1,3,4,5-tetramethyl-1H-indene?
2-iodo-1,3,4,5-tetramethyl-1H-indene has a molecular weight of 298.17 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,3,4,5-tetramethyl-1H-indene is sourced from PubChem (CID 174753925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).