1-ethenyl-4-(4-iodobutoxy)benzene

C12H15IO — CID 71412951

IUPAC1-ethenyl-4-(4-iodobutoxy)benzene
SMILESC=Cc1ccc(OCCCCI)cc1
InChIInChI=1S/C12H15IO/c1-2-11-5-7-12(8-6-11)14-10-4-3-9-13/h2,5-8H,1,3-4,9-10H2
InChIKeyOQRFVSUEZMXVCW-UHFFFAOYSA-N
MW302.15 g/mol
LogP3.92
Rot. Bonds6

About 1-ethenyl-4-(4-iodobutoxy)benzene

1-ethenyl-4-(4-iodobutoxy)benzene (PubChem CID 71412951) has the molecular formula C12H15IO and a molecular weight of 302.15 g/mol. Its IUPAC name is 1-ethenyl-4-(4-iodobutoxy)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(4-iodobutoxy)benzene
PubChem CID71412951
Molecular FormulaC12H15IO
Molecular Weight302.15 g/mol
Exact Mass302.02
IUPAC Name1-ethenyl-4-(4-iodobutoxy)benzene
SMILESC=Cc1ccc(OCCCCI)cc1
InChIInChI=1S/C12H15IO/c1-2-11-5-7-12(8-6-11)14-10-4-3-9-13/h2,5-8H,1,3-4,9-10H2
InChIKeyOQRFVSUEZMXVCW-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 53.92
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-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
1-ethenyl-4-undecoxybenzene
CID 174770051
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
11-(4-ethenylphenoxy)undecyl-trimethylazanium
CID 169121754
4-(4-ethenylphenoxy)butyl-dimethoxysilane
CID 123452170
4-[6-(4-ethenylphenoxy)hexoxy]benzenesulfonate
CID 140670040
N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine
CID 68645784
[4-[5-(4-ethenylphenoxy)pentoxy]phenyl]-(4-methoxyphenyl)diazene
CID 71342009
1-ethenyl-4-hept-4-enoxybenzene
CID 175065592
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(4-iodobutoxy)benzene?
The IUPAC name of 1-ethenyl-4-(4-iodobutoxy)benzene (CID 71412951) is 1-ethenyl-4-(4-iodobutoxy)benzene.
What is the SMILES notation for 1-ethenyl-4-(4-iodobutoxy)benzene?
The canonical SMILES for 1-ethenyl-4-(4-iodobutoxy)benzene is C=Cc1ccc(OCCCCI)cc1.
What is the InChIKey of 1-ethenyl-4-(4-iodobutoxy)benzene?
The InChIKey is OQRFVSUEZMXVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO/c1-2-11-5-7-12(8-6-11)14-10-4-3-9-13/h2,5-8H,1,3-4,9-10H2.
What are the key properties of 1-ethenyl-4-(4-iodobutoxy)benzene?
1-ethenyl-4-(4-iodobutoxy)benzene has a molecular weight of 302.15 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(4-iodobutoxy)benzene is sourced from PubChem (CID 71412951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).