[(E)-2-chloro-3-iodoprop-2-enyl]benzene

C9H8ClI — CID 88614127

IUPAC[(E)-2-chloro-3-iodoprop-2-enyl]benzene
SMILESCl/C(=C/I)Cc1ccccc1
InChIInChI=1S/C9H8ClI/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2/b9-7+
InChIKeyFITPNGLMWFRHMD-VQHVLOKHSA-N
MW278.52 g/mol
LogP3.74
Rot. Bonds2

About [(E)-2-chloro-3-iodoprop-2-enyl]benzene

[(E)-2-chloro-3-iodoprop-2-enyl]benzene (PubChem CID 88614127) has the molecular formula C9H8ClI and a molecular weight of 278.52 g/mol. Its IUPAC name is [(E)-2-chloro-3-iodoprop-2-enyl]benzene.

Molecular Properties

Compound Name[(E)-2-chloro-3-iodoprop-2-enyl]benzene
PubChem CID88614127
Molecular FormulaC9H8ClI
Molecular Weight278.52 g/mol
Exact Mass277.94
IUPAC Name[(E)-2-chloro-3-iodoprop-2-enyl]benzene
SMILESCl/C(=C/I)Cc1ccccc1
InChIInChI=1S/C9H8ClI/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2/b9-7+
InChIKeyFITPNGLMWFRHMD-VQHVLOKHSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.52
LogP ≤ 53.74
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

[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
CID 10588550
(E)-2-benzyl-3-iodoprop-2-enal
CID 166527118
2-(4-benzylphenyl)acetyl chloride
CID 18187385
(2-chloro-3-phenylprop-1-enyl) benzoate
CID 154172802
zinc;2-phenylacetyl chloride;dichloride
CID 175497500
1,3-diphenyl(213C)propan-2-one
CID 100945080
2-(4-phenylphenyl)acetyl chloride
CID 11264727
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
1-iodo-3-phenylpropan-2-one
CID 11425437

Frequently Asked Questions

What is the IUPAC name of [(E)-2-chloro-3-iodoprop-2-enyl]benzene?
The IUPAC name of [(E)-2-chloro-3-iodoprop-2-enyl]benzene (CID 88614127) is [(E)-2-chloro-3-iodoprop-2-enyl]benzene.
What is the SMILES notation for [(E)-2-chloro-3-iodoprop-2-enyl]benzene?
The canonical SMILES for [(E)-2-chloro-3-iodoprop-2-enyl]benzene is Cl/C(=C/I)Cc1ccccc1.
What is the InChIKey of [(E)-2-chloro-3-iodoprop-2-enyl]benzene?
The InChIKey is FITPNGLMWFRHMD-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H8ClI/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2/b9-7+.
What are the key properties of [(E)-2-chloro-3-iodoprop-2-enyl]benzene?
[(E)-2-chloro-3-iodoprop-2-enyl]benzene has a molecular weight of 278.52 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-chloro-3-iodoprop-2-enyl]benzene is sourced from PubChem (CID 88614127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).