1-(2-butoxyethoxy)-4-iodobenzene

C12H17IO2 — CID 25259264

IUPAC1-(2-butoxyethoxy)-4-iodobenzene
SMILESCCCCOCCOc1ccc(I)cc1
InChIInChI=1S/C12H17IO2/c1-2-3-8-14-9-10-15-12-6-4-11(13)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKeyZLVSASFESBGCEL-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.49
Rot. Bonds7

About 1-(2-butoxyethoxy)-4-iodobenzene

1-(2-butoxyethoxy)-4-iodobenzene (PubChem CID 25259264) has the molecular formula C12H17IO2 and a molecular weight of 320.17 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-4-iodobenzene.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-4-iodobenzene
PubChem CID25259264
Molecular FormulaC12H17IO2
Molecular Weight320.17 g/mol
Exact Mass320.03
IUPAC Name1-(2-butoxyethoxy)-4-iodobenzene
SMILESCCCCOCCOc1ccc(I)cc1
InChIInChI=1S/C12H17IO2/c1-2-3-8-14-9-10-15-12-6-4-11(13)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKeyZLVSASFESBGCEL-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
4-[2-(2-butoxyethoxy)ethoxy]benzonitrile
CID 43289691
1-(2-butoxyethoxy)-4-(chloromethyl)benzene
CID 29003978
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
4-(2-pentoxyethoxy)aniline
CID 43274923
1-iodo-4-[2-(3-methylbutoxy)ethoxy]benzene
CID 63530619
2-(2-dodecoxyethoxy)ethanol;2-(2-dodecoxyethoxy)ethoxybenzene;iodobenzene
CID 158591710
2-pentoxyethoxybenzene
CID 54431229
[4-(2-butoxyethoxy)phenyl]-trifluoroboranuide
CID 63678055

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-4-iodobenzene?
The IUPAC name of 1-(2-butoxyethoxy)-4-iodobenzene (CID 25259264) is 1-(2-butoxyethoxy)-4-iodobenzene.
What is the SMILES notation for 1-(2-butoxyethoxy)-4-iodobenzene?
The canonical SMILES for 1-(2-butoxyethoxy)-4-iodobenzene is CCCCOCCOc1ccc(I)cc1.
What is the InChIKey of 1-(2-butoxyethoxy)-4-iodobenzene?
The InChIKey is ZLVSASFESBGCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO2/c1-2-3-8-14-9-10-15-12-6-4-11(13)5-7-12/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 1-(2-butoxyethoxy)-4-iodobenzene?
1-(2-butoxyethoxy)-4-iodobenzene has a molecular weight of 320.17 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-4-iodobenzene is sourced from PubChem (CID 25259264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).