2-iodo-4,7-dimethyl-1H-indene

C11H11I — CID 145268239

IUPAC2-iodo-4,7-dimethyl-1H-indene
SMILESCc1ccc(C)c2c1C=C(I)C2
InChIInChI=1S/C11H11I/c1-7-3-4-8(2)11-6-9(12)5-10(7)11/h3-5H,6H2,1-2H3
InChIKeyPHNAZGFFXSHGFK-UHFFFAOYSA-N
MW270.11 g/mol
LogP3.64
Rot. Bonds

About 2-iodo-4,7-dimethyl-1H-indene

2-iodo-4,7-dimethyl-1H-indene (PubChem CID 145268239) has the molecular formula C11H11I and a molecular weight of 270.11 g/mol. Its IUPAC name is 2-iodo-4,7-dimethyl-1H-indene.

Molecular Properties

Compound Name2-iodo-4,7-dimethyl-1H-indene
PubChem CID145268239
Molecular FormulaC11H11I
Molecular Weight270.11 g/mol
Exact Mass269.99
IUPAC Name2-iodo-4,7-dimethyl-1H-indene
SMILESCc1ccc(C)c2c1C=C(I)C2
InChIInChI=1S/C11H11I/c1-7-3-4-8(2)11-6-9(12)5-10(7)11/h3-5H,6H2,1-2H3
InChIKeyPHNAZGFFXSHGFK-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4,7-dimethyl-1H-indene
CID 58975409
2-ethenyl-4,7-dimethyl-1H-indene
CID 145268234
4,7-dimethyl-2-(2-phenylphenyl)-1H-indene
CID 175069448
dichlorozirconium;2-ethyl-4,7-dimethyl-1H-indene
CID 174363313
(4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane
CID 21096605
dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane
CID 21096503
2-(5,8-dimethyl-3,4-dihydronaphthalen-2-yl)propan-2-ol
CID 102316586
4,7-dimethyl-1H-indene
CID 157466302
4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene
CID 87984166
5,8-dimethyl-1,4-dihydronaphthalene
CID 15646930
2,4-dimethyl-7-(1-methylcyclohexyl)-1H-indene
CID 56994043
2-ethyl-7-methyl-4-(4-methylphenyl)-1H-indene
CID 87521684

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4,7-dimethyl-1H-indene?
The IUPAC name of 2-iodo-4,7-dimethyl-1H-indene (CID 145268239) is 2-iodo-4,7-dimethyl-1H-indene.
What is the SMILES notation for 2-iodo-4,7-dimethyl-1H-indene?
The canonical SMILES for 2-iodo-4,7-dimethyl-1H-indene is Cc1ccc(C)c2c1C=C(I)C2.
What is the InChIKey of 2-iodo-4,7-dimethyl-1H-indene?
The InChIKey is PHNAZGFFXSHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11I/c1-7-3-4-8(2)11-6-9(12)5-10(7)11/h3-5H,6H2,1-2H3.
What are the key properties of 2-iodo-4,7-dimethyl-1H-indene?
2-iodo-4,7-dimethyl-1H-indene has a molecular weight of 270.11 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,7-dimethyl-1H-indene is sourced from PubChem (CID 145268239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).