(E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one

C11H12Br2OTe — CID 135051631

IUPAC(E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one
SMILESCC(=O)/C=C/c1ccccc1[Te](C)(Br)Br
InChIInChI=1S/C11H12Br2OTe/c1-9(14)7-8-10-5-3-4-6-11(10)15(2,12)13/h3-8H,1-2H3/b8-7+
InChIKeyNPVGDYGKIMFWCW-BQYQJAHWSA-N
MW447.62 g/mol
LogP3.36
Rot. Bonds3

About (E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one

(E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one (PubChem CID 135051631) has the molecular formula C11H12Br2OTe and a molecular weight of 447.62 g/mol. Its IUPAC name is (E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one
PubChem CID135051631
Molecular FormulaC11H12Br2OTe
Molecular Weight447.62 g/mol
Exact Mass447.83
IUPAC Name(E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one
SMILESCC(=O)/C=C/c1ccccc1[Te](C)(Br)Br
InChIInChI=1S/C11H12Br2OTe/c1-9(14)7-8-10-5-3-4-6-11(10)15(2,12)13/h3-8H,1-2H3/b8-7+
InChIKeyNPVGDYGKIMFWCW-BQYQJAHWSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one 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

ethane;4-[2-(3-oxobut-1-enyl)phenyl]but-3-en-2-one
CID 91253043
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
(E)-3-[2-[(E)-3-oxobut-1-enyl]phenyl]prop-2-enal
CID 101375200
N-[2-[(E)-3-oxobut-1-enyl]phenyl]acetamide
CID 10878239
(E)-4-(2-benzoylphenyl)but-3-en-2-one
CID 135039520
(E)-4-(3-bromo-2-hydroxyphenyl)but-3-en-2-one
CID 147171845
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
4-(4-chloro-2-fluorophenyl)but-3-en-2-one
CID 67127595
(E)-4-(2-prop-2-ynoxyphenyl)but-3-en-2-one
CID 15419007
4-[2-[(E)-3-oxobut-1-enyl]phenyl]but-2-ynoic acid
CID 122223275
(E)-4-(1-methylindol-3-yl)but-3-en-2-one
CID 736407

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one?
The IUPAC name of (E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one (CID 135051631) is (E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one.
What is the SMILES notation for (E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one?
The canonical SMILES for (E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one is CC(=O)/C=C/c1ccccc1[Te](C)(Br)Br.
What is the InChIKey of (E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one?
The InChIKey is NPVGDYGKIMFWCW-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H12Br2OTe/c1-9(14)7-8-10-5-3-4-6-11(10)15(2,12)13/h3-8H,1-2H3/b8-7+.
What are the key properties of (E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one?
(E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one has a molecular weight of 447.62 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-[dibromo(methyl)-λ4-tellanyl]phenyl]but-3-en-2-one is sourced from PubChem (CID 135051631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).