1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene

C20H19F3O2Te — CID 10624400

IUPAC1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene
SMILESC#CCOC(COCc1ccccc1)C[Te]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3O2Te/c1-2-12-25-18(14-24-13-16-6-4-3-5-7-16)15-26-19-10-8-17(9-11-19)20(21,22)23/h1,3-11,18H,12-15H2
InChIKeyKFEQKNOZEYENOR-UHFFFAOYSA-N
MW475.96 g/mol
LogP3.69
Rot. Bonds9

About 1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene

1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene (PubChem CID 10624400) has the molecular formula C20H19F3O2Te and a molecular weight of 475.96 g/mol. Its IUPAC name is 1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene
PubChem CID10624400
Molecular FormulaC20H19F3O2Te
Molecular Weight475.96 g/mol
Exact Mass478.04
IUPAC Name1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene
SMILESC#CCOC(COCc1ccccc1)C[Te]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3O2Te/c1-2-12-25-18(14-24-13-16-6-4-3-5-7-16)15-26-19-10-8-17(9-11-19)20(21,22)23/h1,3-11,18H,12-15H2
InChIKeyKFEQKNOZEYENOR-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.96
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2,3-Diphenyl-1,4-dioxane
CID 271103
cis-1,4-Dibenzyloxy-2-butene
CID 11086763
ST50998416
CID 5113393
(3S,6R)-3,6-bis(benzyloxymethyl)-3,6-dihydro-1,2-dioxine
CID 16727780
(3R,6R)-3-(benzyloxymethyl)-6-methyl-3,6-dihydro-1,2-dioxine
CID 16727779
1,1'-[Oxybis(2,2,2-trifluoro-1,1-ethanediyl)]dibenzene
CID 13207006
2-Fluorobenzyl ether
CID 67509440
5,6-Diphenyl-2,3-dihydro-1,4-dioxine
CID 243620
1,1'-(1,2-Dimethoxyethane-1,2-diyl)dibenzene
CID 291043

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene (CID 10624400) is 1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene is C#CCOC(COCc1ccccc1)C[Te]c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene?
The InChIKey is KFEQKNOZEYENOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O2Te/c1-2-12-25-18(14-24-13-16-6-4-3-5-7-16)15-26-19-10-8-17(9-11-19)20(21,22)23/h1,3-11,18H,12-15H2.
What are the key properties of 1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene?
1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene has a molecular weight of 475.96 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 10624400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).