1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene

C15H13I — CID 58915425

IUPAC1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene
SMILESCc1ccc(/C=C/c2cccc(I)c2)cc1
InChIInChI=1S/C15H13I/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(16)11-14/h2-11H,1H3/b10-9+
InChIKeyWOPKXGIRQKMNSL-MDZDMXLPSA-N
MW320.17 g/mol
LogP4.77
Rot. Bonds2

About 1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene

1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene (PubChem CID 58915425) has the molecular formula C15H13I and a molecular weight of 320.17 g/mol. Its IUPAC name is 1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene
PubChem CID58915425
Molecular FormulaC15H13I
Molecular Weight320.17 g/mol
Exact Mass320.01
IUPAC Name1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene
SMILESCc1ccc(/C=C/c2cccc(I)c2)cc1
InChIInChI=1S/C15H13I/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(16)11-14/h2-11H,1H3/b10-9+
InChIKeyWOPKXGIRQKMNSL-MDZDMXLPSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
1-iodo-3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 89046674
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-N-[3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 118136756
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol
CID 67605326
4-[2-(3-methylphenyl)ethenyl]aniline
CID 59935146
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
CID 91179639

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The IUPAC name of 1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene (CID 58915425) is 1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene is Cc1ccc(/C=C/c2cccc(I)c2)cc1.
What is the InChIKey of 1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The InChIKey is WOPKXGIRQKMNSL-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H13I/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(16)11-14/h2-11H,1H3/b10-9+.
What are the key properties of 1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene?
1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene has a molecular weight of 320.17 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 58915425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).