phenyl 4-(1-methyltellanylethyl)benzoate

C16H16O2Te — CID 23075355

IUPACphenyl 4-(1-methyltellanylethyl)benzoate
SMILESC[Te]C(C)c1ccc(C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H16O2Te/c1-12(19-2)13-8-10-14(11-9-13)16(17)18-15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyNIIFCIIHWBTZEP-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.72
Rot. Bonds4

About phenyl 4-(1-methyltellanylethyl)benzoate

phenyl 4-(1-methyltellanylethyl)benzoate (PubChem CID 23075355) has the molecular formula C16H16O2Te and a molecular weight of 367.90 g/mol. Its IUPAC name is phenyl 4-(1-methyltellanylethyl)benzoate.

Molecular Properties

Compound Namephenyl 4-(1-methyltellanylethyl)benzoate
PubChem CID23075355
Molecular FormulaC16H16O2Te
Molecular Weight367.90 g/mol
Exact Mass370.02
IUPAC Namephenyl 4-(1-methyltellanylethyl)benzoate
SMILESC[Te]C(C)c1ccc(C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H16O2Te/c1-12(19-2)13-8-10-14(11-9-13)16(17)18-15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyNIIFCIIHWBTZEP-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 4-pentan-2-ylbenzoate
CID 57043329
phenyl 4-tert-butylbenzoate
CID 733785
propan-2-yl 4-benzoyloxybenzoate
CID 17160844
phenyl 4-hexan-3-ylbenzoate
CID 57201082
phenyl 4-(2-stibanylpropan-2-yl)benzoate
CID 87141124
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
1-O-[2-(4-phenoxycarbonylbenzoyl)oxyethyl] 4-O-phenyl benzene-1,4-dicarboxylate
CID 154278572
cobalt(2+);phenyl benzoate;diacetate
CID 163661272
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
(4-methylphenyl) 4-propan-2-ylbenzoate
CID 1406523
bis[4-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] benzene-1,4-dicarboxylate
CID 102500670

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(1-methyltellanylethyl)benzoate?
The IUPAC name of phenyl 4-(1-methyltellanylethyl)benzoate (CID 23075355) is phenyl 4-(1-methyltellanylethyl)benzoate.
What is the SMILES notation for phenyl 4-(1-methyltellanylethyl)benzoate?
The canonical SMILES for phenyl 4-(1-methyltellanylethyl)benzoate is C[Te]C(C)c1ccc(C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl 4-(1-methyltellanylethyl)benzoate?
The InChIKey is NIIFCIIHWBTZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2Te/c1-12(19-2)13-8-10-14(11-9-13)16(17)18-15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of phenyl 4-(1-methyltellanylethyl)benzoate?
phenyl 4-(1-methyltellanylethyl)benzoate has a molecular weight of 367.90 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(1-methyltellanylethyl)benzoate is sourced from PubChem (CID 23075355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).