1-ethenyl-2-(2-iodoethyl)-4-methylbenzene

C11H13I — CID 144660846

IUPAC1-ethenyl-2-(2-iodoethyl)-4-methylbenzene
SMILESC=Cc1ccc(C)cc1CCI
InChIInChI=1S/C11H13I/c1-3-10-5-4-9(2)8-11(10)6-7-12/h3-5,8H,1,6-7H2,2H3
InChIKeyFGVOPPAACYETCY-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.62
Rot. Bonds3

About 1-ethenyl-2-(2-iodoethyl)-4-methylbenzene

1-ethenyl-2-(2-iodoethyl)-4-methylbenzene (PubChem CID 144660846) has the molecular formula C11H13I and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-ethenyl-2-(2-iodoethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-(2-iodoethyl)-4-methylbenzene
PubChem CID144660846
Molecular FormulaC11H13I
Molecular Weight272.13 g/mol
Exact Mass272.01
IUPAC Name1-ethenyl-2-(2-iodoethyl)-4-methylbenzene
SMILESC=Cc1ccc(C)cc1CCI
InChIInChI=1S/C11H13I/c1-3-10-5-4-9(2)8-11(10)6-7-12/h3-5,8H,1,6-7H2,2H3
InChIKeyFGVOPPAACYETCY-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethenyl-2-(2-iodoethyl)-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenyl-2-ethyl-4-methylbenzene
CID 18626822
1-ethenyl-2-(3-iodopentyl)-4-methylbenzene
CID 66808128
1-ethenyl-2-iodo-4-methylbenzene
CID 139713418
2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene
CID 177009018
1-ethenyl-2-ethyl-4-methylbenzene;1-ethenyl-2-methylbenzene
CID 173409250
1-ethenyl-2,4-dimethylbenzene
CID 157285903
1-ethenyl-2-(3-iodopropyl)-4-methoxybenzene
CID 66808178
1-ethenyl-4-methyl-2-prop-2-enoxybenzene
CID 59606813
1-ethenyl-4-iodo-2-propylbenzene
CID 141346319
1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene
CID 143109354
1,2-bis(ethenyl)-4-methylbenzene;methoxymethane
CID 142804443
2-ethenyl-1,7-dimethylnaphthalene
CID 142881924

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(2-iodoethyl)-4-methylbenzene?
The IUPAC name of 1-ethenyl-2-(2-iodoethyl)-4-methylbenzene (CID 144660846) is 1-ethenyl-2-(2-iodoethyl)-4-methylbenzene.
What is the SMILES notation for 1-ethenyl-2-(2-iodoethyl)-4-methylbenzene?
The canonical SMILES for 1-ethenyl-2-(2-iodoethyl)-4-methylbenzene is C=Cc1ccc(C)cc1CCI.
What is the InChIKey of 1-ethenyl-2-(2-iodoethyl)-4-methylbenzene?
The InChIKey is FGVOPPAACYETCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13I/c1-3-10-5-4-9(2)8-11(10)6-7-12/h3-5,8H,1,6-7H2,2H3.
What are the key properties of 1-ethenyl-2-(2-iodoethyl)-4-methylbenzene?
1-ethenyl-2-(2-iodoethyl)-4-methylbenzene has a molecular weight of 272.13 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(2-iodoethyl)-4-methylbenzene is sourced from PubChem (CID 144660846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).