1-iodo-2,3-dimethylbenzene;1,2-xylene

C16H19I — CID 175003744

IUPAC1-iodo-2,3-dimethylbenzene;1,2-xylene
SMILESCc1cccc(I)c1C.Cc1ccccc1C
InChIInChI=1S/C8H9I.C8H10/c1-6-4-3-5-8(9)7(6)2;1-7-5-3-4-6-8(7)2/h3-5H,1-2H3;3-6H,1-2H3
InChIKeyUXXZPGXLPILPRE-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.21
Rot. Bonds

About 1-iodo-2,3-dimethylbenzene;1,2-xylene

1-iodo-2,3-dimethylbenzene;1,2-xylene (PubChem CID 175003744) has the molecular formula C16H19I and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-iodo-2,3-dimethylbenzene;1,2-xylene.

Molecular Properties

Compound Name1-iodo-2,3-dimethylbenzene;1,2-xylene
PubChem CID175003744
Molecular FormulaC16H19I
Molecular Weight338.23 g/mol
Exact Mass338.05
IUPAC Name1-iodo-2,3-dimethylbenzene;1,2-xylene
SMILESCc1cccc(I)c1C.Cc1ccccc1C
InChIInChI=1S/C8H9I.C8H10/c1-6-4-3-5-8(9)7(6)2;1-7-5-3-4-6-8(7)2/h3-5H,1-2H3;3-6H,1-2H3
InChIKeyUXXZPGXLPILPRE-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.21
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-2,3-dimethylbenzene;1,2-xylene?
The IUPAC name of 1-iodo-2,3-dimethylbenzene;1,2-xylene (CID 175003744) is 1-iodo-2,3-dimethylbenzene;1,2-xylene.
What is the SMILES notation for 1-iodo-2,3-dimethylbenzene;1,2-xylene?
The canonical SMILES for 1-iodo-2,3-dimethylbenzene;1,2-xylene is Cc1cccc(I)c1C.Cc1ccccc1C.
What is the InChIKey of 1-iodo-2,3-dimethylbenzene;1,2-xylene?
The InChIKey is UXXZPGXLPILPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9I.C8H10/c1-6-4-3-5-8(9)7(6)2;1-7-5-3-4-6-8(7)2/h3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of 1-iodo-2,3-dimethylbenzene;1,2-xylene?
1-iodo-2,3-dimethylbenzene;1,2-xylene has a molecular weight of 338.23 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,3-dimethylbenzene;1,2-xylene is sourced from PubChem (CID 175003744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).