2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol

C17H22OSeTe — CID 24874282

IUPAC2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol
SMILESCCCC[Te]c1cc(C(C)(C)O)[se]c1-c1ccccc1
InChIInChI=1S/C17H22OSeTe/c1-4-5-11-20-14-12-15(17(2,3)18)19-16(14)13-9-7-6-8-10-13/h6-10,12,18H,4-5,11H2,1-3H3
InChIKeyJRGZDNUBMXIKTG-UHFFFAOYSA-N
MW448.92 g/mol
LogP3.19
Rot. Bonds6

About 2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol

2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol (PubChem CID 24874282) has the molecular formula C17H22OSeTe and a molecular weight of 448.92 g/mol. Its IUPAC name is 2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol
PubChem CID24874282
Molecular FormulaC17H22OSeTe
Molecular Weight448.92 g/mol
Exact Mass451.99
IUPAC Name2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol
SMILESCCCC[Te]c1cc(C(C)(C)O)[se]c1-c1ccccc1
InChIInChI=1S/C17H22OSeTe/c1-4-5-11-20-14-12-15(17(2,3)18)19-16(14)13-9-7-6-8-10-13/h6-10,12,18H,4-5,11H2,1-3H3
InChIKeyJRGZDNUBMXIKTG-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.92
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methoxyphenyl)-5-phenylselenophen-2-yl]propan-2-ol
CID 135009848
(2-butyltellanylphenyl)methanol
CID 11087594
3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene
CID 24786620
4-methyl-1-phenylheptan-4-ol
CID 67874665
3-octoxy-2,5-diphenylselenophene
CID 23625555
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
1,1'-biphenyl;hexadecane
CID 173308514
1-butyl-4-phenylbenzene;ethane
CID 143743409
N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine
CID 138685115
3-(4-butylphenyl)benzoic acid
CID 2757303
1-(4-heptylphenyl)-1-phenylethanol
CID 59545473
8-(1-phenylpropyl)pentadecan-8-ol
CID 134906373

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol?
The IUPAC name of 2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol (CID 24874282) is 2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol is CCCC[Te]c1cc(C(C)(C)O)[se]c1-c1ccccc1.
What is the InChIKey of 2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol?
The InChIKey is JRGZDNUBMXIKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OSeTe/c1-4-5-11-20-14-12-15(17(2,3)18)19-16(14)13-9-7-6-8-10-13/h6-10,12,18H,4-5,11H2,1-3H3.
What are the key properties of 2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol?
2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol has a molecular weight of 448.92 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyltellanyl-5-phenylselenophen-2-yl)propan-2-ol is sourced from PubChem (CID 24874282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).