(Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol

C12H15Cl3O2Te — CID 139265217

IUPAC(Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol
SMILESCOc1ccc([Te](Cl)(Cl)/C(=C\Cl)C(C)(C)O)cc1
InChIInChI=1S/C12H15Cl3O2Te/c1-12(2,16)11(8-13)18(14,15)10-6-4-9(17-3)5-7-10/h4-8,16H,1-3H3/b11-8-
InChIKeyQFIIGWPAUHZVQA-FLIBITNWSA-N
MW425.21 g/mol
LogP3.25
Rot. Bonds4

About (Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol

(Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol (PubChem CID 139265217) has the molecular formula C12H15Cl3O2Te and a molecular weight of 425.21 g/mol. Its IUPAC name is (Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol
PubChem CID139265217
Molecular FormulaC12H15Cl3O2Te
Molecular Weight425.21 g/mol
Exact Mass425.92
IUPAC Name(Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol
SMILESCOc1ccc([Te](Cl)(Cl)/C(=C\Cl)C(C)(C)O)cc1
InChIInChI=1S/C12H15Cl3O2Te/c1-12(2,16)11(8-13)18(14,15)10-6-4-9(17-3)5-7-10/h4-8,16H,1-3H3/b11-8-
InChIKeyQFIIGWPAUHZVQA-FLIBITNWSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.21
LogP ≤ 53.25
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-[dihydroxy-(4-methoxyphenyl)-λ4-tellanyl]-4-methoxybenzene
CID 101242302
1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene
CID 135056470
1,5-bis(4-methoxyphenyl)-3-methylpenta-1,4-diyn-3-ol
CID 139242349
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756
2-chloro-2-(4-methoxyphenyl)propanal
CID 174937779
2,3-dimethylbutane-2,3-diol;(4-methoxyphenyl)boronic acid
CID 71116543
1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol
CID 175567565
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
(E)-3-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 106437933
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
2-(5-methoxypyrimidin-2-yl)propan-2-ol
CID 118346554

Frequently Asked Questions

What is the IUPAC name of (Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol?
The IUPAC name of (Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol (CID 139265217) is (Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol.
What is the SMILES notation for (Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol?
The canonical SMILES for (Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol is COc1ccc([Te](Cl)(Cl)/C(=C\Cl)C(C)(C)O)cc1.
What is the InChIKey of (Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol?
The InChIKey is QFIIGWPAUHZVQA-FLIBITNWSA-N. The full InChI is InChI=1S/C12H15Cl3O2Te/c1-12(2,16)11(8-13)18(14,15)10-6-4-9(17-3)5-7-10/h4-8,16H,1-3H3/b11-8-.
What are the key properties of (Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol?
(Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol has a molecular weight of 425.21 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-chloro-3-[dichloro-(4-methoxyphenyl)-λ4-tellanyl]-2-methylbut-3-en-2-ol is sourced from PubChem (CID 139265217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).