6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate

C22H24I2O4 — CID 132581734

IUPAC6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate
SMILESO=C(Cc1ccc(I)cc1)OCCCCCCOC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C22H24I2O4/c23-19-9-5-17(6-10-19)15-21(25)27-13-3-1-2-4-14-28-22(26)16-18-7-11-20(24)12-8-18/h5-12H,1-4,13-16H2
InChIKeyCQQSMKFTCVPJSL-UHFFFAOYSA-N
MW606.24 g/mol
LogP5.33
Rot. Bonds11

About 6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate

6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate (PubChem CID 132581734) has the molecular formula C22H24I2O4 and a molecular weight of 606.24 g/mol. Its IUPAC name is 6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate.

Molecular Properties

Compound Name6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate
PubChem CID132581734
Molecular FormulaC22H24I2O4
Molecular Weight606.24 g/mol
Exact Mass605.98
IUPAC Name6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate
SMILESO=C(Cc1ccc(I)cc1)OCCCCCCOC(=O)Cc1ccc(I)cc1
InChIInChI=1S/C22H24I2O4/c23-19-9-5-17(6-10-19)15-21(25)27-13-3-1-2-4-14-28-22(26)16-18-7-11-20(24)12-8-18/h5-12H,1-4,13-16H2
InChIKeyCQQSMKFTCVPJSL-UHFFFAOYSA-N
XLogP5.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.24
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
prop-2-enyl 2-(4-iodophenyl)acetate
CID 175438229
3-iodoprop-2-ynyl 2-(4-iodophenyl)acetate
CID 54009944
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
decyl 2-(4-phenylphenyl)acetate
CID 121280824
decyl 2-[4-(4-propylphenyl)phenyl]acetate
CID 121329523
4-(4-iodophenyl)butyl acetate
CID 67358099
octyl 2-phenylacetate;oxophosphanium
CID 160645862
2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate
CID 158542822
decyl 2-[4-(4-methoxyphenyl)phenyl]acetate
CID 121329524
ethyl 2-(4-hexoxyphenyl)acetate
CID 19797927
trimethyl-[4-[2-oxo-2-(8-phenoxyoctoxy)ethyl]phenyl]azanium
CID 18345332

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate?
The IUPAC name of 6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate (CID 132581734) is 6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate.
What is the SMILES notation for 6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate?
The canonical SMILES for 6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate is O=C(Cc1ccc(I)cc1)OCCCCCCOC(=O)Cc1ccc(I)cc1.
What is the InChIKey of 6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate?
The InChIKey is CQQSMKFTCVPJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24I2O4/c23-19-9-5-17(6-10-19)15-21(25)27-13-3-1-2-4-14-28-22(26)16-18-7-11-20(24)12-8-18/h5-12H,1-4,13-16H2.
What are the key properties of 6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate?
6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate has a molecular weight of 606.24 g/mol, XLogP of 5.33, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-iodophenyl)acetyl]oxyhexyl 2-(4-iodophenyl)acetate is sourced from PubChem (CID 132581734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).