(E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one

C16H14OTe — CID 135051772

IUPAC(E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one
SMILESC[Te]c1ccccc1/C=C/C(=O)c1ccccc1
InChIInChI=1S/C16H14OTe/c1-18-16-10-6-5-9-14(16)11-12-15(17)13-7-3-2-4-8-13/h2-12H,1H3/b12-11+
InChIKeyDBJKHYJJWCUADB-VAWYXSNFSA-N
MW349.89 g/mol
LogP2.96
Rot. Bonds4

About (E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one

(E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one (PubChem CID 135051772) has the molecular formula C16H14OTe and a molecular weight of 349.89 g/mol. Its IUPAC name is (E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one
PubChem CID135051772
Molecular FormulaC16H14OTe
Molecular Weight349.89 g/mol
Exact Mass352.01
IUPAC Name(E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one
SMILESC[Te]c1ccccc1/C=C/C(=O)c1ccccc1
InChIInChI=1S/C16H14OTe/c1-18-16-10-6-5-9-14(16)11-12-15(17)13-7-3-2-4-8-13/h2-12H,1H3/b12-11+
InChIKeyDBJKHYJJWCUADB-VAWYXSNFSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 52.96
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'}

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Related Compounds

3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one
CID 70475987
3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
CID 69039311
(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564972
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one
CID 72689101
3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one
CID 174792715
(E)-3-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974
3-[2-(2-methylbut-2-enyl)phenyl]-1-phenylprop-2-en-1-one
CID 174912534
1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one (CID 135051772) is (E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one is C[Te]c1ccccc1/C=C/C(=O)c1ccccc1.
What is the InChIKey of (E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is DBJKHYJJWCUADB-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H14OTe/c1-18-16-10-6-5-9-14(16)11-12-15(17)13-7-3-2-4-8-13/h2-12H,1H3/b12-11+.
What are the key properties of (E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one?
(E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 349.89 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 135051772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).