1-(4-chlorobutoxy)-4-iodobenzene

C10H12ClIO — CID 58186898

IUPAC1-(4-chlorobutoxy)-4-iodobenzene
SMILESClCCCCOc1ccc(I)cc1
InChIInChI=1S/C10H12ClIO/c11-7-1-2-8-13-10-5-3-9(12)4-6-10/h3-6H,1-2,7-8H2
InChIKeyAEFFIZKKZBCKMQ-UHFFFAOYSA-N
MW310.56 g/mol
LogP3.69
Rot. Bonds5

About 1-(4-chlorobutoxy)-4-iodobenzene

1-(4-chlorobutoxy)-4-iodobenzene (PubChem CID 58186898) has the molecular formula C10H12ClIO and a molecular weight of 310.56 g/mol. Its IUPAC name is 1-(4-chlorobutoxy)-4-iodobenzene.

Molecular Properties

Compound Name1-(4-chlorobutoxy)-4-iodobenzene
PubChem CID58186898
Molecular FormulaC10H12ClIO
Molecular Weight310.56 g/mol
Exact Mass309.96
IUPAC Name1-(4-chlorobutoxy)-4-iodobenzene
SMILESClCCCCOc1ccc(I)cc1
InChIInChI=1S/C10H12ClIO/c11-7-1-2-8-13-10-5-3-9(12)4-6-10/h3-6H,1-2,7-8H2
InChIKeyAEFFIZKKZBCKMQ-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.56
LogP ≤ 53.69
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

1,4-bis(3-chloropropoxy)benzene
CID 20523958
6-(4-iodophenoxy)hexan-1-ol
CID 58609394
1-iodo-4-(3-phenoxypropoxy)benzene
CID 60665273
1-(6-chlorohexoxy)-4-ethoxybenzene
CID 63498933
2-[4-(5-chloropentoxy)phenoxy]ethylsilane
CID 123967006
1-iodo-4-(5,5,5-trifluoropentoxy)benzene
CID 102202371
1-iodo-4-(5-propan-2-ylsulfanylpentoxy)benzene
CID 2843459
5-(4-iodophenoxy)pentanoic acid
CID 22915460
1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
CID 141496951
1-iodo-4-(3-propan-2-ylsulfanylpropoxy)benzene
CID 2843535
1-[4-(4-iodophenoxy)butyl]pyrrolidine
CID 2232625
N-butyl-4-(4-iodophenoxy)butan-1-amine
CID 2247309

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutoxy)-4-iodobenzene?
The IUPAC name of 1-(4-chlorobutoxy)-4-iodobenzene (CID 58186898) is 1-(4-chlorobutoxy)-4-iodobenzene.
What is the SMILES notation for 1-(4-chlorobutoxy)-4-iodobenzene?
The canonical SMILES for 1-(4-chlorobutoxy)-4-iodobenzene is ClCCCCOc1ccc(I)cc1.
What is the InChIKey of 1-(4-chlorobutoxy)-4-iodobenzene?
The InChIKey is AEFFIZKKZBCKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIO/c11-7-1-2-8-13-10-5-3-9(12)4-6-10/h3-6H,1-2,7-8H2.
What are the key properties of 1-(4-chlorobutoxy)-4-iodobenzene?
1-(4-chlorobutoxy)-4-iodobenzene has a molecular weight of 310.56 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobutoxy)-4-iodobenzene is sourced from PubChem (CID 58186898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).