1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene

C22H28I2O — CID 19787055

IUPAC1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene
SMILESCCCCCCCCc1cc(I)c(OCC)cc1-c1ccc(I)cc1
InChIInChI=1S/C22H28I2O/c1-3-5-6-7-8-9-10-18-15-21(24)22(25-4-2)16-20(18)17-11-13-19(23)14-12-17/h11-16H,3-10H2,1-2H3
InChIKeyGCPYXONQDPCJIO-UHFFFAOYSA-N
MW562.27 g/mol
LogP7.86
Rot. Bonds10

About 1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene

1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene (PubChem CID 19787055) has the molecular formula C22H28I2O and a molecular weight of 562.27 g/mol. Its IUPAC name is 1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene.

Molecular Properties

Compound Name1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene
PubChem CID19787055
Molecular FormulaC22H28I2O
Molecular Weight562.27 g/mol
Exact Mass562.02
IUPAC Name1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene
SMILESCCCCCCCCc1cc(I)c(OCC)cc1-c1ccc(I)cc1
InChIInChI=1S/C22H28I2O/c1-3-5-6-7-8-9-10-18-15-21(24)22(25-4-2)16-20(18)17-11-13-19(23)14-12-17/h11-16H,3-10H2,1-2H3
InChIKeyGCPYXONQDPCJIO-UHFFFAOYSA-N
XLogP7.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.27
LogP ≤ 57.86
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-decyl-2-ethoxybenzene
CID 175243335
1-iodo-4-octadecylbenzene
CID 141122271
4-[4-(4-carbonochloridoylphenyl)-2,5-dihexylphenyl]benzoyl chloride
CID 54457056
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-octylbenzene
CID 54190896
2-dodecyl-4-iodoaniline
CID 139793987
1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 169036195
2-ethoxy-6-heptadecylphenol
CID 10499794
(4-iodo-2-octylphenyl) hydrogen carbonate
CID 54572223
1-dodecan-2-yl-4-dodecyl-5-[4-(4-methylphenyl)phenyl]-2-[4-(4-pentylphenyl)phenyl]benzene
CID 123744117
2,3-dihexyl-6,7-diiodobiphenylene
CID 176885795
4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 89402899
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene?
The IUPAC name of 1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene (CID 19787055) is 1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene.
What is the SMILES notation for 1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene?
The canonical SMILES for 1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene is CCCCCCCCc1cc(I)c(OCC)cc1-c1ccc(I)cc1.
What is the InChIKey of 1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene?
The InChIKey is GCPYXONQDPCJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28I2O/c1-3-5-6-7-8-9-10-18-15-21(24)22(25-4-2)16-20(18)17-11-13-19(23)14-12-17/h11-16H,3-10H2,1-2H3.
What are the key properties of 1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene?
1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene has a molecular weight of 562.27 g/mol, XLogP of 7.86, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-iodo-5-(4-iodophenyl)-4-octylbenzene is sourced from PubChem (CID 19787055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).