1-ethenyl-4-iodo-2-propylbenzene

C11H13I — CID 141346319

IUPAC1-ethenyl-4-iodo-2-propylbenzene
SMILESC=Cc1ccc(I)cc1CCC
InChIInChI=1S/C11H13I/c1-3-5-10-8-11(12)7-6-9(10)4-2/h4,6-8H,2-3,5H2,1H3
InChIKeySIFGJNHARACPDZ-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.89
Rot. Bonds3

About 1-ethenyl-4-iodo-2-propylbenzene

1-ethenyl-4-iodo-2-propylbenzene (PubChem CID 141346319) has the molecular formula C11H13I and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-ethenyl-4-iodo-2-propylbenzene.

Molecular Properties

Compound Name1-ethenyl-4-iodo-2-propylbenzene
PubChem CID141346319
Molecular FormulaC11H13I
Molecular Weight272.13 g/mol
Exact Mass272.01
IUPAC Name1-ethenyl-4-iodo-2-propylbenzene
SMILESC=Cc1ccc(I)cc1CCC
InChIInChI=1S/C11H13I/c1-3-5-10-8-11(12)7-6-9(10)4-2/h4,6-8H,2-3,5H2,1H3
InChIKeySIFGJNHARACPDZ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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-dipropylbenzene
CID 22033822
2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene
CID 177009018
N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine
CID 134531448
1,2-bis(ethenyl)-4-propylbenzene
CID 142025634
1-ethenyl-2-(2-iodoethyl)-4-methylbenzene
CID 144660846
1-ethenyl-2-(3-iodopentyl)-4-methylbenzene
CID 66808128
1-ethenyl-2-ethyl-4-methylbenzene
CID 18626822
1,4-bis(ethenyl)-2-ethylbenzene
CID 57040233
2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene
CID 156747890
3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene
CID 89170468
1-ethenyl-2-(3-iodopropyl)-4-methoxybenzene
CID 66808178
1-ethenyl-2-pentylbenzene
CID 22171756

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-iodo-2-propylbenzene?
The IUPAC name of 1-ethenyl-4-iodo-2-propylbenzene (CID 141346319) is 1-ethenyl-4-iodo-2-propylbenzene.
What is the SMILES notation for 1-ethenyl-4-iodo-2-propylbenzene?
The canonical SMILES for 1-ethenyl-4-iodo-2-propylbenzene is C=Cc1ccc(I)cc1CCC.
What is the InChIKey of 1-ethenyl-4-iodo-2-propylbenzene?
The InChIKey is SIFGJNHARACPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13I/c1-3-5-10-8-11(12)7-6-9(10)4-2/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 1-ethenyl-4-iodo-2-propylbenzene?
1-ethenyl-4-iodo-2-propylbenzene has a molecular weight of 272.13 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-iodo-2-propylbenzene is sourced from PubChem (CID 141346319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).