1-ethenyl-2-iodo-4-methylbenzene

C9H9I — CID 139713418

IUPAC1-ethenyl-2-iodo-4-methylbenzene
SMILESC=Cc1ccc(C)cc1I
InChIInChI=1S/C9H9I/c1-3-8-5-4-7(2)6-9(8)10/h3-6H,1H2,2H3
InChIKeyAVVBKLJMBMZKTM-UHFFFAOYSA-N
MW244.07 g/mol
LogP3.24
Rot. Bonds1

About 1-ethenyl-2-iodo-4-methylbenzene

1-ethenyl-2-iodo-4-methylbenzene (PubChem CID 139713418) has the molecular formula C9H9I and a molecular weight of 244.07 g/mol. Its IUPAC name is 1-ethenyl-2-iodo-4-methylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-iodo-4-methylbenzene
PubChem CID139713418
Molecular FormulaC9H9I
Molecular Weight244.07 g/mol
Exact Mass243.97
IUPAC Name1-ethenyl-2-iodo-4-methylbenzene
SMILESC=Cc1ccc(C)cc1I
InChIInChI=1S/C9H9I/c1-3-8-5-4-7(2)6-9(8)10/h3-6H,1H2,2H3
InChIKeyAVVBKLJMBMZKTM-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-2,4-dimethylbenzene
CID 157285903
1,2-bis(ethenyl)-4-methylbenzene;methoxymethane
CID 142804443
1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene
CID 143109354
1,2-bis(ethenyl)-4-methylbenzene;ethane;methane;prop-1-ene
CID 143109411
1-ethenyl-2-(2-iodoethyl)-4-methylbenzene
CID 144660846
1-ethenyl-2-ethyl-4-methylbenzene
CID 18626822
(2-ethenyl-5-methylphenyl)hydrazine
CID 89194075
ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 172609650
2-ethenyl-1,7-dimethylnaphthalene
CID 142881924
1-chloro-2-ethenyl-4-methylbenzene
CID 19377357
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972
1-ethenyl-4-methyl-2-prop-2-enoxybenzene
CID 59606813

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-iodo-4-methylbenzene?
The IUPAC name of 1-ethenyl-2-iodo-4-methylbenzene (CID 139713418) is 1-ethenyl-2-iodo-4-methylbenzene.
What is the SMILES notation for 1-ethenyl-2-iodo-4-methylbenzene?
The canonical SMILES for 1-ethenyl-2-iodo-4-methylbenzene is C=Cc1ccc(C)cc1I.
What is the InChIKey of 1-ethenyl-2-iodo-4-methylbenzene?
The InChIKey is AVVBKLJMBMZKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9I/c1-3-8-5-4-7(2)6-9(8)10/h3-6H,1H2,2H3.
What are the key properties of 1-ethenyl-2-iodo-4-methylbenzene?
1-ethenyl-2-iodo-4-methylbenzene has a molecular weight of 244.07 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-iodo-4-methylbenzene is sourced from PubChem (CID 139713418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).