1-cyclopropyl-2-iodo-3,4-dimethylbenzene

C11H13I — CID 170981929

IUPAC1-cyclopropyl-2-iodo-3,4-dimethylbenzene
SMILESCc1ccc(C2CC2)c(I)c1C
InChIInChI=1S/C11H13I/c1-7-3-6-10(9-4-5-9)11(12)8(7)2/h3,6,9H,4-5H2,1-2H3
InChIKeyGXEQKPIUFGNBQQ-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.79
Rot. Bonds1

About 1-cyclopropyl-2-iodo-3,4-dimethylbenzene

1-cyclopropyl-2-iodo-3,4-dimethylbenzene (PubChem CID 170981929) has the molecular formula C11H13I and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-cyclopropyl-2-iodo-3,4-dimethylbenzene.

Molecular Properties

Compound Name1-cyclopropyl-2-iodo-3,4-dimethylbenzene
PubChem CID170981929
Molecular FormulaC11H13I
Molecular Weight272.13 g/mol
Exact Mass272.01
IUPAC Name1-cyclopropyl-2-iodo-3,4-dimethylbenzene
SMILESCc1ccc(C2CC2)c(I)c1C
InChIInChI=1S/C11H13I/c1-7-3-6-10(9-4-5-9)11(12)8(7)2/h3,6,9H,4-5H2,1-2H3
InChIKeyGXEQKPIUFGNBQQ-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.79
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-cyclopropyl-2-iodo-3,4-dimethylbenzene?
The IUPAC name of 1-cyclopropyl-2-iodo-3,4-dimethylbenzene (CID 170981929) is 1-cyclopropyl-2-iodo-3,4-dimethylbenzene.
What is the SMILES notation for 1-cyclopropyl-2-iodo-3,4-dimethylbenzene?
The canonical SMILES for 1-cyclopropyl-2-iodo-3,4-dimethylbenzene is Cc1ccc(C2CC2)c(I)c1C.
What is the InChIKey of 1-cyclopropyl-2-iodo-3,4-dimethylbenzene?
The InChIKey is GXEQKPIUFGNBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13I/c1-7-3-6-10(9-4-5-9)11(12)8(7)2/h3,6,9H,4-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-iodo-3,4-dimethylbenzene?
1-cyclopropyl-2-iodo-3,4-dimethylbenzene has a molecular weight of 272.13 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-iodo-3,4-dimethylbenzene is sourced from PubChem (CID 170981929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).