1-iodo-2-methylbenzene

C7H7I — CID 5128

IUPAC1-iodo-2-methylbenzene
SMILESCc1ccccc1I
InChIInChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKeyRINOYHWVBUKAQE-UHFFFAOYSA-N
MW218.04 g/mol
LogP2.60
Rot. Bonds

About 1-iodo-2-methylbenzene

1-iodo-2-methylbenzene (PubChem CID 5128) has the molecular formula C7H7I and a molecular weight of 218.04 g/mol. Its IUPAC name is 1-iodo-2-methylbenzene.

Molecular Properties

Compound Name1-iodo-2-methylbenzene
PubChem CID5128
Molecular FormulaC7H7I
Molecular Weight218.04 g/mol
Exact Mass217.96
IUPAC Name1-iodo-2-methylbenzene
SMILESCc1ccccc1I
InChIInChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKeyRINOYHWVBUKAQE-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 52.60
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-2-methylbenzene?
The IUPAC name of 1-iodo-2-methylbenzene (CID 5128) is 1-iodo-2-methylbenzene.
What is the SMILES notation for 1-iodo-2-methylbenzene?
The canonical SMILES for 1-iodo-2-methylbenzene is Cc1ccccc1I.
What is the InChIKey of 1-iodo-2-methylbenzene?
The InChIKey is RINOYHWVBUKAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3.
What are the key properties of 1-iodo-2-methylbenzene?
1-iodo-2-methylbenzene has a molecular weight of 218.04 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methylbenzene is sourced from PubChem (CID 5128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).