1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene

C12H15IO — CID 155076269

IUPAC1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene
SMILESC=Cc1ccc(CCOCCI)cc1
InChIInChI=1S/C12H15IO/c1-2-11-3-5-12(6-4-11)7-9-14-10-8-13/h2-6H,1,7-10H2
InChIKeySLHGSMMMILRYTQ-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.32
Rot. Bonds6

About 1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene

1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene (PubChem CID 155076269) has the molecular formula C12H15IO and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene
PubChem CID155076269
Molecular FormulaC12H15IO
Molecular Weight302.16 g/mol
Exact Mass302.02
IUPAC Name1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene
SMILESC=Cc1ccc(CCOCCI)cc1
InChIInChI=1S/C12H15IO/c1-2-11-3-5-12(6-4-11)7-9-14-10-8-13/h2-6H,1,7-10H2
InChIKeySLHGSMMMILRYTQ-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene
CID 67776293
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261
1-(2-ethenoxyethyl)-4-ethenylbenzene
CID 23031073
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
1-ethenyl-4-(4-iodobutoxy)benzene
CID 71412951
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate
CID 154622094
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline
CID 89417377
(4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium
CID 86640937

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene?
The IUPAC name of 1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene (CID 155076269) is 1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene.
What is the SMILES notation for 1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene?
The canonical SMILES for 1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene is C=Cc1ccc(CCOCCI)cc1.
What is the InChIKey of 1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene?
The InChIKey is SLHGSMMMILRYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO/c1-2-11-3-5-12(6-4-11)7-9-14-10-8-13/h2-6H,1,7-10H2.
What are the key properties of 1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene?
1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene has a molecular weight of 302.16 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene is sourced from PubChem (CID 155076269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).