1-iodoprop-1-en-2-ylbenzene

C9H9I — CID 54065087

IUPAC1-iodoprop-1-en-2-ylbenzene
SMILESCC(=CI)c1ccccc1
InChIInChI=1S/C9H9I/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyMCJIDKOSJZIDPQ-UHFFFAOYSA-N
MW244.08 g/mol
LogP3.48
Rot. Bonds1

About 1-iodoprop-1-en-2-ylbenzene

1-iodoprop-1-en-2-ylbenzene (PubChem CID 54065087) has the molecular formula C9H9I and a molecular weight of 244.08 g/mol. Its IUPAC name is 1-iodoprop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-iodoprop-1-en-2-ylbenzene
PubChem CID54065087
Molecular FormulaC9H9I
Molecular Weight244.08 g/mol
Exact Mass243.97
IUPAC Name1-iodoprop-1-en-2-ylbenzene
SMILESCC(=CI)c1ccccc1
InChIInChI=1S/C9H9I/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyMCJIDKOSJZIDPQ-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.48
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

1-bromoprop-1-en-2-ylbenzene
CID 5152757
4-phenylpent-3-en-2-one
CID 594380
[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
ethane;4-phenylpent-3-en-2-one
CID 123324566
3-phenylbut-2-enoate
CID 6995278
2,8-diphenylnona-2,7-dien-5-one
CID 139864359
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc
CID 135060356
methyl (E)-3-phenylbut-2-enoate
CID 5354835
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-[(Z)-2-phenylprop-1-enyl]aziridine
CID 87132052

Frequently Asked Questions

What is the IUPAC name of 1-iodoprop-1-en-2-ylbenzene?
The IUPAC name of 1-iodoprop-1-en-2-ylbenzene (CID 54065087) is 1-iodoprop-1-en-2-ylbenzene.
What is the SMILES notation for 1-iodoprop-1-en-2-ylbenzene?
The canonical SMILES for 1-iodoprop-1-en-2-ylbenzene is CC(=CI)c1ccccc1.
What is the InChIKey of 1-iodoprop-1-en-2-ylbenzene?
The InChIKey is MCJIDKOSJZIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9I/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 1-iodoprop-1-en-2-ylbenzene?
1-iodoprop-1-en-2-ylbenzene has a molecular weight of 244.08 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodoprop-1-en-2-ylbenzene is sourced from PubChem (CID 54065087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).