2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone

C18H20Br2O2Te — CID 177439881

IUPAC2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCOc1ccc([Te](Br)(Br)CC(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H20Br2O2Te/c1-12-9-13(2)18(14(3)10-12)17(21)11-23(19,20)16-7-5-15(22-4)6-8-16/h5-10H,11H2,1-4H3
InChIKeyZIGARMIMKPFHPX-UHFFFAOYSA-N
MW555.76 g/mol
LogP4.94
Rot. Bonds5

About 2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone

2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 177439881) has the molecular formula C18H20Br2O2Te and a molecular weight of 555.76 g/mol. Its IUPAC name is 2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID177439881
Molecular FormulaC18H20Br2O2Te
Molecular Weight555.76 g/mol
Exact Mass555.89
IUPAC Name2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCOc1ccc([Te](Br)(Br)CC(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H20Br2O2Te/c1-12-9-13(2)18(14(3)10-12)17(21)11-23(19,20)16-7-5-15(22-4)6-8-16/h5-10H,11H2,1-4H3
InChIKeyZIGARMIMKPFHPX-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.76
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865
2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 10890406
lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide
CID 141016363
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43412302
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 4790984
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
CID 1068398
2-(4-methoxyphenoxy)-N'-[2-(2,4,6-trimethylphenoxy)acetyl]acetohydrazide
CID 2479123
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82140730
sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate
CID 23708345

Frequently Asked Questions

What is the IUPAC name of 2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone (CID 177439881) is 2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone is COc1ccc([Te](Br)(Br)CC(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is ZIGARMIMKPFHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2O2Te/c1-12-9-13(2)18(14(3)10-12)17(21)11-23(19,20)16-7-5-15(22-4)6-8-16/h5-10H,11H2,1-4H3.
What are the key properties of 2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone?
2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 555.76 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 177439881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).