3-iodo-1-methylnaphthalene

C11H9I — CID 11715949

IUPAC3-iodo-1-methylnaphthalene
SMILESCc1cc(I)cc2ccccc12
InChIInChI=1S/C11H9I/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h2-7H,1H3
InChIKeyCIUULEJLWVRNJH-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.75
Rot. Bonds

About 3-iodo-1-methylnaphthalene

3-iodo-1-methylnaphthalene (PubChem CID 11715949) has the molecular formula C11H9I and a molecular weight of 268.10 g/mol. Its IUPAC name is 3-iodo-1-methylnaphthalene.

Molecular Properties

Compound Name3-iodo-1-methylnaphthalene
PubChem CID11715949
Molecular FormulaC11H9I
Molecular Weight268.10 g/mol
Exact Mass267.97
IUPAC Name3-iodo-1-methylnaphthalene
SMILESCc1cc(I)cc2ccccc12
InChIInChI=1S/C11H9I/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h2-7H,1H3
InChIKeyCIUULEJLWVRNJH-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.75
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

1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
1,3-dimethylnaphthalene;ethane
CID 145447624
3-bromo-1-methylnaphthalene
CID 18673607
1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene
CID 54470765
ethane;4-methylnaphthalen-2-amine
CID 144829259
ethane;methane;9-methylphenanthrene
CID 169171289
ethane;methane;9-methylphenanthrene
CID 144916914
3-iodo-1-naphthalen-1-ylnaphthalene
CID 141152728
3-(difluoromethyl)-1-methylnaphthalene
CID 118018854
1-(difluoromethyl)-3-iodonaphthalene
CID 118847241
1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene
CID 58780214
1-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene
CID 90312399

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methylnaphthalene?
The IUPAC name of 3-iodo-1-methylnaphthalene (CID 11715949) is 3-iodo-1-methylnaphthalene.
What is the SMILES notation for 3-iodo-1-methylnaphthalene?
The canonical SMILES for 3-iodo-1-methylnaphthalene is Cc1cc(I)cc2ccccc12.
What is the InChIKey of 3-iodo-1-methylnaphthalene?
The InChIKey is CIUULEJLWVRNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9I/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h2-7H,1H3.
What are the key properties of 3-iodo-1-methylnaphthalene?
3-iodo-1-methylnaphthalene has a molecular weight of 268.10 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methylnaphthalene is sourced from PubChem (CID 11715949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).