[(Z)-3-iodobut-2-enyl]benzene

C10H11I — CID 166908870

IUPAC[(Z)-3-iodobut-2-enyl]benzene
SMILESC/C(I)=C/Cc1ccccc1
InChIInChI=1S/C10H11I/c1-9(11)7-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3/b9-7-
InChIKeyBZDJMXDLVFDCQJ-CLFYSBASSA-N
MW258.10 g/mol
LogP3.57
Rot. Bonds2

About [(Z)-3-iodobut-2-enyl]benzene

[(Z)-3-iodobut-2-enyl]benzene (PubChem CID 166908870) has the molecular formula C10H11I and a molecular weight of 258.10 g/mol. Its IUPAC name is [(Z)-3-iodobut-2-enyl]benzene.

Molecular Properties

Compound Name[(Z)-3-iodobut-2-enyl]benzene
PubChem CID166908870
Molecular FormulaC10H11I
Molecular Weight258.10 g/mol
Exact Mass257.99
IUPAC Name[(Z)-3-iodobut-2-enyl]benzene
SMILESC/C(I)=C/Cc1ccccc1
InChIInChI=1S/C10H11I/c1-9(11)7-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3/b9-7-
InChIKeyBZDJMXDLVFDCQJ-CLFYSBASSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.57
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

actinium;(Z)-4-phenylbut-2-en-2-ol
CID 22892787
3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene
CID 141019817
1-amino-3-phenylprop-1-en-1-ol
CID 67202427
[(E)-3-methyloct-2-enyl]benzene
CID 12622229
2-(4-phenylbut-2-en-2-yl)pyridine
CID 175479491
3,3-diethoxyprop-2-enylbenzene
CID 68782187
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
triphenyl-[(Z)-4-phenylbut-2-en-2-yl]oxysilane
CID 101425357
[(Z)-2,4-diphenylbut-2-enyl]-trimethylphosphanium
CID 177487791
[(Z)-1-fluoro-3-phenylprop-1-enyl]benzene
CID 15892618
2-chloro-4-phenylbut-2-en-1-ol
CID 54426656
benzyl 2-methyl-4-phenylbut-2-enoate
CID 56992383

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-iodobut-2-enyl]benzene?
The IUPAC name of [(Z)-3-iodobut-2-enyl]benzene (CID 166908870) is [(Z)-3-iodobut-2-enyl]benzene.
What is the SMILES notation for [(Z)-3-iodobut-2-enyl]benzene?
The canonical SMILES for [(Z)-3-iodobut-2-enyl]benzene is C/C(I)=C/Cc1ccccc1.
What is the InChIKey of [(Z)-3-iodobut-2-enyl]benzene?
The InChIKey is BZDJMXDLVFDCQJ-CLFYSBASSA-N. The full InChI is InChI=1S/C10H11I/c1-9(11)7-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3/b9-7-.
What are the key properties of [(Z)-3-iodobut-2-enyl]benzene?
[(Z)-3-iodobut-2-enyl]benzene has a molecular weight of 258.10 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-iodobut-2-enyl]benzene is sourced from PubChem (CID 166908870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).