1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene

C20H24I2O — CID 141318682

IUPAC1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene
SMILESIc1ccc(CCCCOCCCCc2ccc(I)cc2)cc1
InChIInChI=1S/C20H24I2O/c21-19-11-7-17(8-12-19)5-1-3-15-23-16-4-2-6-18-9-13-20(22)14-10-18/h7-14H,1-6,15-16H2
InChIKeyRUHNRJRLWXKJFZ-UHFFFAOYSA-N
MW534.22 g/mol
LogP6.26
Rot. Bonds10

About 1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene

1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene (PubChem CID 141318682) has the molecular formula C20H24I2O and a molecular weight of 534.22 g/mol. Its IUPAC name is 1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene
PubChem CID141318682
Molecular FormulaC20H24I2O
Molecular Weight534.22 g/mol
Exact Mass533.99
IUPAC Name1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene
SMILESIc1ccc(CCCCOCCCCc2ccc(I)cc2)cc1
InChIInChI=1S/C20H24I2O/c21-19-11-7-17(8-12-19)5-1-3-15-23-16-4-2-6-18-9-13-20(22)14-10-18/h7-14H,1-6,15-16H2
InChIKeyRUHNRJRLWXKJFZ-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.22
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-iodo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799167
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
4-(4-iodophenyl)butyl acetate
CID 67358099
8-(8-phenyloctoxy)octylbenzene
CID 56628536
1-iodo-4-octadecylbenzene
CID 141122271
18-(4-iodophenyl)octadecoxy-methylphosphinate
CID 58185125
2-(dimethylamino)ethyl 3-[18-(4-iodophenyl)octadecoxy]propyl phosphate;methane
CID 159650961
N-[4-(4-iodophenyl)butyl]cyclopropanamine
CID 65489763
2-[5-(4-methylphenyl)pentoxy]ethanol
CID 57171652
1-chloro-4-(7-hexoxyheptyl)benzene
CID 54103905
4-(5-propoxypentyl)phenol
CID 175182886

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene?
The IUPAC name of 1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene (CID 141318682) is 1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene.
What is the SMILES notation for 1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene?
The canonical SMILES for 1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene is Ic1ccc(CCCCOCCCCc2ccc(I)cc2)cc1.
What is the InChIKey of 1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene?
The InChIKey is RUHNRJRLWXKJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24I2O/c21-19-11-7-17(8-12-19)5-1-3-15-23-16-4-2-6-18-9-13-20(22)14-10-18/h7-14H,1-6,15-16H2.
What are the key properties of 1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene?
1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene has a molecular weight of 534.22 g/mol, XLogP of 6.26, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene is sourced from PubChem (CID 141318682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).