1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene

C14H20I2O5 — CID 169045547

IUPAC1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene
SMILESCOCCOCCOc1c(I)cc(I)cc1C(OC)OC
InChIInChI=1S/C14H20I2O5/c1-17-4-5-20-6-7-21-13-11(14(18-2)19-3)8-10(15)9-12(13)16/h8-9,14H,4-7H2,1-3H3
InChIKeyAXNVAHYRDJOXFD-UHFFFAOYSA-N
MW522.12 g/mol
LogP3.23
Rot. Bonds10

About 1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene

1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene (PubChem CID 169045547) has the molecular formula C14H20I2O5 and a molecular weight of 522.12 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene
PubChem CID169045547
Molecular FormulaC14H20I2O5
Molecular Weight522.12 g/mol
Exact Mass521.94
IUPAC Name1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene
SMILESCOCCOCCOc1c(I)cc(I)cc1C(OC)OC
InChIInChI=1S/C14H20I2O5/c1-17-4-5-20-6-7-21-13-11(14(18-2)19-3)8-10(15)9-12(13)16/h8-9,14H,4-7H2,1-3H3
InChIKeyAXNVAHYRDJOXFD-UHFFFAOYSA-N
XLogP3.23
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.12
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 18987005
1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 67250875
1,3,5-triiodo-2-(methoxymethoxy)benzene
CID 102384226
2,2-difluoro-3-[2-(2,4,6-triiodophenoxy)ethoxy]propanoic acid
CID 160596665
3-amino-5-iodo-4-[3-(2-methoxyethoxy)propoxy]benzonitrile
CID 103408891
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene
CID 90397544
3-amino-5-iodo-4-[2-(3-methoxypropoxy)ethoxy]benzonitrile
CID 103177319
3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]cyclobut-3-ene-1,2-dione
CID 169054321
CID 172826348
CID 172826348
1-iodo-2-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzene
CID 119050908
2-(3-chloropropoxy)-1,3,5-triiodobenzene
CID 43128717
2-dodecoxy-1,3,5-triiodobenzene
CID 139999122

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene?
The IUPAC name of 1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene (CID 169045547) is 1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene.
What is the SMILES notation for 1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene?
The canonical SMILES for 1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene is COCCOCCOc1c(I)cc(I)cc1C(OC)OC.
What is the InChIKey of 1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene?
The InChIKey is AXNVAHYRDJOXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20I2O5/c1-17-4-5-20-6-7-21-13-11(14(18-2)19-3)8-10(15)9-12(13)16/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene?
1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene has a molecular weight of 522.12 g/mol, XLogP of 3.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-3,5-diiodo-2-[2-(2-methoxyethoxy)ethoxy]benzene is sourced from PubChem (CID 169045547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).