3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid

C11H14Cl2O3Te — CID 4061203

IUPAC3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid
SMILESCCOc1ccc([Te](Cl)(Cl)CCC(=O)O)cc1
InChIInChI=1S/C11H14Cl2O3Te/c1-2-16-9-3-5-10(6-4-9)17(12,13)8-7-11(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyPGNMMPQJWJVDDQ-UHFFFAOYSA-N
MW392.74 g/mol
LogP2.69
Rot. Bonds6

About 3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid

3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid (PubChem CID 4061203) has the molecular formula C11H14Cl2O3Te and a molecular weight of 392.74 g/mol. Its IUPAC name is 3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid.

Molecular Properties

Compound Name3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid
PubChem CID4061203
Molecular FormulaC11H14Cl2O3Te
Molecular Weight392.74 g/mol
Exact Mass393.94
IUPAC Name3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid
SMILESCCOc1ccc([Te](Cl)(Cl)CCC(=O)O)cc1
InChIInChI=1S/C11H14Cl2O3Te/c1-2-16-9-3-5-10(6-4-9)17(12,13)8-7-11(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyPGNMMPQJWJVDDQ-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.74
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[dichloro(methyl)-lambda4-tellanyl]-4-ethoxybenzene
CID 3299621
2-chloroacetic acid;ethoxybenzene
CID 174963019
5-(4-ethoxyphenyl)-5,5-difluoropentanoic acid
CID 28931296
3-[2-(4-ethoxyphenoxy)ethylamino]propanoic acid
CID 43386866
3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid
CID 95462842
5-(4-ethoxyphenyl)pent-4-enoic acid
CID 54525695
3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]propanoic acid
CID 3684278
2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
2-(4-ethoxyphenyl)-2-oxoacetic acid
CID 5054841
(1E,5E)-1,6-bis(4-ethoxyphenyl)-1,6-dihydroxyhexa-1,5-diene-3,4-dione
CID 20834174
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503

Frequently Asked Questions

What is the IUPAC name of 3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid?
The IUPAC name of 3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid (CID 4061203) is 3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid.
What is the SMILES notation for 3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid?
The canonical SMILES for 3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid is CCOc1ccc([Te](Cl)(Cl)CCC(=O)O)cc1.
What is the InChIKey of 3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid?
The InChIKey is PGNMMPQJWJVDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O3Te/c1-2-16-9-3-5-10(6-4-9)17(12,13)8-7-11(14)15/h3-6H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid?
3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid has a molecular weight of 392.74 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dichloro-(4-ethoxyphenyl)-λ4-tellanyl]propanoic acid is sourced from PubChem (CID 4061203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).