1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene

C8H9Br3O2Te — CID 177411564

IUPAC1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene
SMILESCOc1cccc(OC)c1[Te](Br)(Br)Br
InChIInChI=1S/C8H9Br3O2Te/c1-12-6-4-3-5-7(13-2)8(6)14(9,10)11/h3-5H,1-2H3
InChIKeyYATLGIDAENRESW-UHFFFAOYSA-N
MW504.47 g/mol
LogP3.03
Rot. Bonds3

About 1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene

1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene (PubChem CID 177411564) has the molecular formula C8H9Br3O2Te and a molecular weight of 504.47 g/mol. Its IUPAC name is 1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene.

Molecular Properties

Compound Name1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene
PubChem CID177411564
Molecular FormulaC8H9Br3O2Te
Molecular Weight504.47 g/mol
Exact Mass503.72
IUPAC Name1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene
SMILESCOc1cccc(OC)c1[Te](Br)(Br)Br
InChIInChI=1S/C8H9Br3O2Te/c1-12-6-4-3-5-7(13-2)8(6)14(9,10)11/h3-5H,1-2H3
InChIKeyYATLGIDAENRESW-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[dibromo(methyl)-λ4-tellanyl]-1,3-dimethoxybenzene
CID 139154969
2-[dibromo(propan-2-yl)-λ4-tellanyl]-1,3-dimethoxybenzene
CID 177487878
2-methoxyphenol;molecular bromine
CID 141484212
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
1,2-dibromo-3-methoxybenzene
CID 11958056
1-bromo-3-methoxy-2-methylbenzene
CID 18505255
bismuth tris(2,6-dimethoxybenzenethiolate)
CID 15973660
2,6-dimethoxyaniline;ethane
CID 145233133
(2Z)-10,11-dibromo-5,16-dimethoxytricyclo[10.4.0.04,9]hexadeca-1(12),2,4(9),5,7,13,15-heptaene
CID 134866217
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene?
The IUPAC name of 1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene (CID 177411564) is 1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene.
What is the SMILES notation for 1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene?
The canonical SMILES for 1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene is COc1cccc(OC)c1[Te](Br)(Br)Br.
What is the InChIKey of 1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene?
The InChIKey is YATLGIDAENRESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br3O2Te/c1-12-6-4-3-5-7(13-2)8(6)14(9,10)11/h3-5H,1-2H3.
What are the key properties of 1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene?
1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene has a molecular weight of 504.47 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-(tribromo-λ4-tellanyl)benzene is sourced from PubChem (CID 177411564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).