1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene

C11H15IO2 — CID 11822906

IUPAC1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene
SMILESCOc1c(C)c(C)c(OC)c(I)c1C
InChIInChI=1S/C11H15IO2/c1-6-7(2)11(14-5)9(12)8(3)10(6)13-4/h1-5H3
InChIKeyYRILGOFNHTXUBH-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.23
Rot. Bonds2

About 1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene

1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene (PubChem CID 11822906) has the molecular formula C11H15IO2 and a molecular weight of 306.14 g/mol. Its IUPAC name is 1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene.

Molecular Properties

Compound Name1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene
PubChem CID11822906
Molecular FormulaC11H15IO2
Molecular Weight306.14 g/mol
Exact Mass306.01
IUPAC Name1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene
SMILESCOc1c(C)c(C)c(OC)c(I)c1C
InChIInChI=1S/C11H15IO2/c1-6-7(2)11(14-5)9(12)8(3)10(6)13-4/h1-5H3
InChIKeyYRILGOFNHTXUBH-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-2,5-dimethoxy-3,4,6-trimethylbenzene?
The IUPAC name of 1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene (CID 11822906) is 1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene.
What is the SMILES notation for 1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene?
The canonical SMILES for 1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene is COc1c(C)c(C)c(OC)c(I)c1C.
What is the InChIKey of 1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene?
The InChIKey is YRILGOFNHTXUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO2/c1-6-7(2)11(14-5)9(12)8(3)10(6)13-4/h1-5H3.
What are the key properties of 1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene?
1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene has a molecular weight of 306.14 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene is sourced from PubChem (CID 11822906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).