1-iodoprop-2-enylbenzene

C9H9I — CID 21195039

IUPAC1-iodoprop-2-enylbenzene
SMILESC=CC(I)c1ccccc1
InChIInChI=1S/C9H9I/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2
InChIKeyYAUZKNDNVSEDKE-UHFFFAOYSA-N
MW244.08 g/mol
LogP3.35
Rot. Bonds2

About 1-iodoprop-2-enylbenzene

1-iodoprop-2-enylbenzene (PubChem CID 21195039) has the molecular formula C9H9I and a molecular weight of 244.08 g/mol. Its IUPAC name is 1-iodoprop-2-enylbenzene.

Molecular Properties

Compound Name1-iodoprop-2-enylbenzene
PubChem CID21195039
Molecular FormulaC9H9I
Molecular Weight244.08 g/mol
Exact Mass243.97
IUPAC Name1-iodoprop-2-enylbenzene
SMILESC=CC(I)c1ccccc1
InChIInChI=1S/C9H9I/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2
InChIKeyYAUZKNDNVSEDKE-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.35
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-(1-iodoprop-2-enyl)benzene
CID 69469784
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
CID 147982953
CID 147982953
benzene;1-phenylprop-2-en-1-ol
CID 174884403
1-phenylprop-2-enyloxidanium
CID 135026196
1-chloroprop-2-enylbenzene
CID 11768772
(1-iodo-2-prop-2-enylpent-4-enyl)benzene
CID 141223385
[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
CID 141305061
1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene
CID 102511686
1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
CID 87154627

Frequently Asked Questions

What is the IUPAC name of 1-iodoprop-2-enylbenzene?
The IUPAC name of 1-iodoprop-2-enylbenzene (CID 21195039) is 1-iodoprop-2-enylbenzene.
What is the SMILES notation for 1-iodoprop-2-enylbenzene?
The canonical SMILES for 1-iodoprop-2-enylbenzene is C=CC(I)c1ccccc1.
What is the InChIKey of 1-iodoprop-2-enylbenzene?
The InChIKey is YAUZKNDNVSEDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9I/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2.
What are the key properties of 1-iodoprop-2-enylbenzene?
1-iodoprop-2-enylbenzene has a molecular weight of 244.08 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoprop-2-enylbenzene is sourced from PubChem (CID 21195039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).