1-iodo-4,5,8-trimethylnaphthalene

C13H13I — CID 134559851

IUPAC1-iodo-4,5,8-trimethylnaphthalene
SMILESCc1ccc(C)c2c(I)ccc(C)c12
InChIInChI=1S/C13H13I/c1-8-4-5-10(3)13-11(14)7-6-9(2)12(8)13/h4-7H,1-3H3
InChIKeyAPNQZNCCFSUUHX-UHFFFAOYSA-N
MW296.15 g/mol
LogP4.37
Rot. Bonds

About 1-iodo-4,5,8-trimethylnaphthalene

1-iodo-4,5,8-trimethylnaphthalene (PubChem CID 134559851) has the molecular formula C13H13I and a molecular weight of 296.15 g/mol. Its IUPAC name is 1-iodo-4,5,8-trimethylnaphthalene.

Molecular Properties

Compound Name1-iodo-4,5,8-trimethylnaphthalene
PubChem CID134559851
Molecular FormulaC13H13I
Molecular Weight296.15 g/mol
Exact Mass296.01
IUPAC Name1-iodo-4,5,8-trimethylnaphthalene
SMILESCc1ccc(C)c2c(I)ccc(C)c12
InChIInChI=1S/C13H13I/c1-8-4-5-10(3)13-11(14)7-6-9(2)12(8)13/h4-7H,1-3H3
InChIKeyAPNQZNCCFSUUHX-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.37
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 1-iodo-4,5,8-trimethylnaphthalene?
The IUPAC name of 1-iodo-4,5,8-trimethylnaphthalene (CID 134559851) is 1-iodo-4,5,8-trimethylnaphthalene.
What is the SMILES notation for 1-iodo-4,5,8-trimethylnaphthalene?
The canonical SMILES for 1-iodo-4,5,8-trimethylnaphthalene is Cc1ccc(C)c2c(I)ccc(C)c12.
What is the InChIKey of 1-iodo-4,5,8-trimethylnaphthalene?
The InChIKey is APNQZNCCFSUUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13I/c1-8-4-5-10(3)13-11(14)7-6-9(2)12(8)13/h4-7H,1-3H3.
What are the key properties of 1-iodo-4,5,8-trimethylnaphthalene?
1-iodo-4,5,8-trimethylnaphthalene has a molecular weight of 296.15 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4,5,8-trimethylnaphthalene is sourced from PubChem (CID 134559851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).