1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene

C24H32I2O3 — CID 56618699

IUPAC1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene
SMILESCCOc1ccc(C(C)(C)COCC(C)(C)c2ccc(OCC)c(I)c2)cc1I
InChIInChI=1S/C24H32I2O3/c1-7-28-21-11-9-17(13-19(21)25)23(3,4)15-27-16-24(5,6)18-10-12-22(29-8-2)20(26)14-18/h9-14H,7-8,15-16H2,1-6H3
InChIKeyCQLJXLILPPAQEY-UHFFFAOYSA-N
MW622.33 g/mol
LogP6.97
Rot. Bonds10

About 1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene

1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene (PubChem CID 56618699) has the molecular formula C24H32I2O3 and a molecular weight of 622.33 g/mol. Its IUPAC name is 1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene.

Molecular Properties

Compound Name1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene
PubChem CID56618699
Molecular FormulaC24H32I2O3
Molecular Weight622.33 g/mol
Exact Mass622.04
IUPAC Name1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene
SMILESCCOc1ccc(C(C)(C)COCC(C)(C)c2ccc(OCC)c(I)c2)cc1I
InChIInChI=1S/C24H32I2O3/c1-7-28-21-11-9-17(13-19(21)25)23(3,4)15-27-16-24(5,6)18-10-12-22(29-8-2)20(26)14-18/h9-14H,7-8,15-16H2,1-6H3
InChIKeyCQLJXLILPPAQEY-UHFFFAOYSA-N
XLogP6.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.33
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine
CID 81020856
2-(3-ethoxy-4-iodophenyl)-2-methylpropan-1-ol
CID 67244628
4-bromo-1-ethoxy-2-iodobenzene
CID 81479588
4-(4-chloro-2-methylbutan-2-yl)-1,2-diethoxybenzene
CID 79838006
(4-ethoxy-3-iodophenyl)methanamine;hydrochloride
CID 169488700
2-ethoxy-1-iodo-4-(trifluoromethyl)benzene
CID 164892007
1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
CID 56617676
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587
N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227492
methyl 2-ethoxy-4-[1-[2-(3-ethoxy-4-methoxycarbonylphenyl)-2-methylpropoxy]carbonyloxy-2-methylpropan-2-yl]benzoate
CID 90688610
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
2-(3-chloro-4-ethoxyphenyl)propan-2-ol
CID 116963403

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene?
The IUPAC name of 1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene (CID 56618699) is 1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene.
What is the SMILES notation for 1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene?
The canonical SMILES for 1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene is CCOc1ccc(C(C)(C)COCC(C)(C)c2ccc(OCC)c(I)c2)cc1I.
What is the InChIKey of 1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene?
The InChIKey is CQLJXLILPPAQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32I2O3/c1-7-28-21-11-9-17(13-19(21)25)23(3,4)15-27-16-24(5,6)18-10-12-22(29-8-2)20(26)14-18/h9-14H,7-8,15-16H2,1-6H3.
What are the key properties of 1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene?
1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene has a molecular weight of 622.33 g/mol, XLogP of 6.97, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[1-[2-(4-ethoxy-3-iodophenyl)-2-methylpropoxy]-2-methylpropan-2-yl]-2-iodobenzene is sourced from PubChem (CID 56618699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).