8-iodo-6-methyl-1,2-dihydronaphthalene

C11H11I — CID 166866293

IUPAC8-iodo-6-methyl-1,2-dihydronaphthalene
SMILESCc1cc(I)c2c(c1)C=CCC2
InChIInChI=1S/C11H11I/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2,4,6-7H,3,5H2,1H3
InChIKeyKAHSPJFKHOJLSG-UHFFFAOYSA-N
MW270.11 g/mol
LogP3.56
Rot. Bonds

About 8-iodo-6-methyl-1,2-dihydronaphthalene

8-iodo-6-methyl-1,2-dihydronaphthalene (PubChem CID 166866293) has the molecular formula C11H11I and a molecular weight of 270.11 g/mol. Its IUPAC name is 8-iodo-6-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name8-iodo-6-methyl-1,2-dihydronaphthalene
PubChem CID166866293
Molecular FormulaC11H11I
Molecular Weight270.11 g/mol
Exact Mass269.99
IUPAC Name8-iodo-6-methyl-1,2-dihydronaphthalene
SMILESCc1cc(I)c2c(c1)C=CCC2
InChIInChI=1S/C11H11I/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2,4,6-7H,3,5H2,1H3
InChIKeyKAHSPJFKHOJLSG-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
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 8-iodo-6-methyl-1,2-dihydronaphthalene?
The IUPAC name of 8-iodo-6-methyl-1,2-dihydronaphthalene (CID 166866293) is 8-iodo-6-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for 8-iodo-6-methyl-1,2-dihydronaphthalene?
The canonical SMILES for 8-iodo-6-methyl-1,2-dihydronaphthalene is Cc1cc(I)c2c(c1)C=CCC2.
What is the InChIKey of 8-iodo-6-methyl-1,2-dihydronaphthalene?
The InChIKey is KAHSPJFKHOJLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11I/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2,4,6-7H,3,5H2,1H3.
What are the key properties of 8-iodo-6-methyl-1,2-dihydronaphthalene?
8-iodo-6-methyl-1,2-dihydronaphthalene has a molecular weight of 270.11 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-6-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 166866293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).