1-(1-iodoethyl)-2-(1-phenylethenyl)benzene

C16H15I — CID 23220200

IUPAC1-(1-iodoethyl)-2-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccccc1C(C)I
InChIInChI=1S/C16H15I/c1-12(14-8-4-3-5-9-14)15-10-6-7-11-16(15)13(2)17/h3-11,13H,1H2,2H3
InChIKeyJYRWDNZOMFWQPH-UHFFFAOYSA-N
MW334.20 g/mol
LogP5.24
Rot. Bonds3

About 1-(1-iodoethyl)-2-(1-phenylethenyl)benzene

1-(1-iodoethyl)-2-(1-phenylethenyl)benzene (PubChem CID 23220200) has the molecular formula C16H15I and a molecular weight of 334.20 g/mol. Its IUPAC name is 1-(1-iodoethyl)-2-(1-phenylethenyl)benzene.

Molecular Properties

Compound Name1-(1-iodoethyl)-2-(1-phenylethenyl)benzene
PubChem CID23220200
Molecular FormulaC16H15I
Molecular Weight334.20 g/mol
Exact Mass334.02
IUPAC Name1-(1-iodoethyl)-2-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccccc1C(C)I
InChIInChI=1S/C16H15I/c1-12(14-8-4-3-5-9-14)15-10-6-7-11-16(15)13(2)17/h3-11,13H,1H2,2H3
InChIKeyJYRWDNZOMFWQPH-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.20
LogP ≤ 55.24
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'}

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Related Compounds

1-ethoxy-2-(1-phenylethenyl)benzene
CID 162347910
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
4-methyl-3-(1-phenylethenyl)pyridine
CID 142303241
4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline
CID 66742694
CID 172736940
CID 172736940
CID 174812823
CID 174812823
1-phenylethenyl-tri(propan-2-yl)silane
CID 102241725
2-[1-[2-(1-oxopropan-2-yl)phenyl]ethenyl]benzoic acid
CID 22151877
[2-(1-phenylethenyl)phenyl] acetate
CID 162348205
1,2-diethyl-3-(1-phenylethenyl)benzene
CID 18968379

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoethyl)-2-(1-phenylethenyl)benzene?
The IUPAC name of 1-(1-iodoethyl)-2-(1-phenylethenyl)benzene (CID 23220200) is 1-(1-iodoethyl)-2-(1-phenylethenyl)benzene.
What is the SMILES notation for 1-(1-iodoethyl)-2-(1-phenylethenyl)benzene?
The canonical SMILES for 1-(1-iodoethyl)-2-(1-phenylethenyl)benzene is C=C(c1ccccc1)c1ccccc1C(C)I.
What is the InChIKey of 1-(1-iodoethyl)-2-(1-phenylethenyl)benzene?
The InChIKey is JYRWDNZOMFWQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15I/c1-12(14-8-4-3-5-9-14)15-10-6-7-11-16(15)13(2)17/h3-11,13H,1H2,2H3.
What are the key properties of 1-(1-iodoethyl)-2-(1-phenylethenyl)benzene?
1-(1-iodoethyl)-2-(1-phenylethenyl)benzene has a molecular weight of 334.20 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoethyl)-2-(1-phenylethenyl)benzene is sourced from PubChem (CID 23220200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).