1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene

C9H9Cl2IO2 — CID 141259276

IUPAC1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C9H9Cl2IO2/c1-13-2-3-14-8-5-6(10)4-7(11)9(8)12/h4-5H,2-3H2,1H3
InChIKeyOBZZHJHJSLPHOO-UHFFFAOYSA-N
MW346.98 g/mol
LogP3.62
Rot. Bonds4

About 1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene

1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene (PubChem CID 141259276) has the molecular formula C9H9Cl2IO2 and a molecular weight of 346.98 g/mol. Its IUPAC name is 1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene
PubChem CID141259276
Molecular FormulaC9H9Cl2IO2
Molecular Weight346.98 g/mol
Exact Mass345.90
IUPAC Name1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C9H9Cl2IO2/c1-13-2-3-14-8-5-6(10)4-7(11)9(8)12/h4-5H,2-3H2,1H3
InChIKeyOBZZHJHJSLPHOO-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.98
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2,4-dichloro-5-(2-methoxyethoxy)phenyl]boronic acid
CID 53216451
[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559812
1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 67250875
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid
CID 165449360
3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride
CID 156721931
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
2-(2-aminoethoxy)-4,6-dichlorophenol
CID 130154996
3-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-1H-imidazole-2-thione
CID 3273361
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
2-bromo-1-chloro-3-(2-methoxyethoxy)benzene
CID 156587191

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene?
The IUPAC name of 1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene (CID 141259276) is 1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene.
What is the SMILES notation for 1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene?
The canonical SMILES for 1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene is COCCOc1cc(Cl)cc(Cl)c1I.
What is the InChIKey of 1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene?
The InChIKey is OBZZHJHJSLPHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2IO2/c1-13-2-3-14-8-5-6(10)4-7(11)9(8)12/h4-5H,2-3H2,1H3.
What are the key properties of 1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene?
1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene has a molecular weight of 346.98 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-iodo-3-(2-methoxyethoxy)benzene is sourced from PubChem (CID 141259276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).