1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene

C30H26I5O6- — CID 169283559

IUPAC1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene
SMILESCCOCOc1cc(I)c(Oc2ccc([I-]c3ccc(Oc4cc(I)c(OCOCC)cc4I)cc3)cc2)cc1I
InChIInChI=1S/C30H26I5O6/c1-3-36-17-38-27-13-25(33)29(15-23(27)31)40-21-9-5-19(6-10-21)35-20-7-11-22(12-8-20)41-30-16-24(32)28(14-26(30)34)39-18-37-4-2/h5-16H,3-4,17-18H2,1-2H3/q-1
InChIKeyGPHMBUUAKLKDKZ-UHFFFAOYSA-N
MW1117.05 g/mol
LogP6.56
Rot. Bonds14

About 1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene

1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene (PubChem CID 169283559) has the molecular formula C30H26I5O6- and a molecular weight of 1117.05 g/mol. Its IUPAC name is 1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene.

Molecular Properties

Compound Name1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene
PubChem CID169283559
Molecular FormulaC30H26I5O6-
Molecular Weight1117.05 g/mol
Exact Mass1116.70
IUPAC Name1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene
SMILESCCOCOc1cc(I)c(Oc2ccc([I-]c3ccc(Oc4cc(I)c(OCOCC)cc4I)cc3)cc2)cc1I
InChIInChI=1S/C30H26I5O6/c1-3-36-17-38-27-13-25(33)29(15-23(27)31)40-21-9-5-19(6-10-21)35-20-7-11-22(12-8-20)41-30-16-24(32)28(14-26(30)34)39-18-37-4-2/h5-16H,3-4,17-18H2,1-2H3/q-1
InChIKeyGPHMBUUAKLKDKZ-UHFFFAOYSA-N
XLogP6.56
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001117.05
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-(ethoxymethoxy)-4-iodobenzene
CID 168973404
1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene
CID 155284614
2-bromo-6-(ethoxymethoxy)naphthalene
CID 65369248
4-bromo-3-(ethoxymethoxy)aniline
CID 103009022
4-bromo-2-(ethoxymethoxy)-1-fluorobenzene
CID 114672897
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
2-(4-ethoxyphenoxy)-4-methylaniline
CID 26189599
2-iodo-4-methoxy-1-(methoxymethoxy)benzene
CID 171366957
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157
[2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
CID 65369939

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene?
The IUPAC name of 1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene (CID 169283559) is 1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene.
What is the SMILES notation for 1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene?
The canonical SMILES for 1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene is CCOCOc1cc(I)c(Oc2ccc([I-]c3ccc(Oc4cc(I)c(OCOCC)cc4I)cc3)cc2)cc1I.
What is the InChIKey of 1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene?
The InChIKey is GPHMBUUAKLKDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26I5O6/c1-3-36-17-38-27-13-25(33)29(15-23(27)31)40-21-9-5-19(6-10-21)35-20-7-11-22(12-8-20)41-30-16-24(32)28(14-26(30)34)39-18-37-4-2/h5-16H,3-4,17-18H2,1-2H3/q-1.
What are the key properties of 1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene?
1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene has a molecular weight of 1117.05 g/mol, XLogP of 6.56, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethoxy)-4-[4-[4-[4-(ethoxymethoxy)-2,5-diiodophenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodobenzene is sourced from PubChem (CID 169283559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).