2-iodo-1,4-dimethylnaphthalene

C12H11I — CID 70312090

IUPAC2-iodo-1,4-dimethylnaphthalene
SMILESCc1cc(I)c(C)c2ccccc12
InChIInChI=1S/C12H11I/c1-8-7-12(13)9(2)11-6-4-3-5-10(8)11/h3-7H,1-2H3
InChIKeyCTHYFMHBEXGYGS-UHFFFAOYSA-N
MW282.12 g/mol
LogP4.06
Rot. Bonds

About 2-iodo-1,4-dimethylnaphthalene

2-iodo-1,4-dimethylnaphthalene (PubChem CID 70312090) has the molecular formula C12H11I and a molecular weight of 282.12 g/mol. Its IUPAC name is 2-iodo-1,4-dimethylnaphthalene.

Molecular Properties

Compound Name2-iodo-1,4-dimethylnaphthalene
PubChem CID70312090
Molecular FormulaC12H11I
Molecular Weight282.12 g/mol
Exact Mass281.99
IUPAC Name2-iodo-1,4-dimethylnaphthalene
SMILESCc1cc(I)c(C)c2ccccc12
InChIInChI=1S/C12H11I/c1-8-7-12(13)9(2)11-6-4-3-5-10(8)11/h3-7H,1-2H3
InChIKeyCTHYFMHBEXGYGS-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 54.06
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-1,4-dimethylnaphthalene?
The IUPAC name of 2-iodo-1,4-dimethylnaphthalene (CID 70312090) is 2-iodo-1,4-dimethylnaphthalene.
What is the SMILES notation for 2-iodo-1,4-dimethylnaphthalene?
The canonical SMILES for 2-iodo-1,4-dimethylnaphthalene is Cc1cc(I)c(C)c2ccccc12.
What is the InChIKey of 2-iodo-1,4-dimethylnaphthalene?
The InChIKey is CTHYFMHBEXGYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11I/c1-8-7-12(13)9(2)11-6-4-3-5-10(8)11/h3-7H,1-2H3.
What are the key properties of 2-iodo-1,4-dimethylnaphthalene?
2-iodo-1,4-dimethylnaphthalene has a molecular weight of 282.12 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,4-dimethylnaphthalene is sourced from PubChem (CID 70312090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).