1-phenyl-2,2,2-tris(phenylselanyl)ethanol

C26H22OSe3 — CID 12736557

IUPAC1-phenyl-2,2,2-tris(phenylselanyl)ethanol
SMILESOC(c1ccccc1)C([Se]c1ccccc1)([Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C26H22OSe3/c27-25(21-13-5-1-6-14-21)26(28-22-15-7-2-8-16-22,29-23-17-9-3-10-18-23)30-24-19-11-4-12-20-24/h1-20,25,27H
InChIKeyUTZPOUFUIXCBMT-UHFFFAOYSA-N
MW587.34 g/mol
LogP2.88
Rot. Bonds8

About 1-phenyl-2,2,2-tris(phenylselanyl)ethanol

1-phenyl-2,2,2-tris(phenylselanyl)ethanol (PubChem CID 12736557) has the molecular formula C26H22OSe3 and a molecular weight of 587.34 g/mol. Its IUPAC name is 1-phenyl-2,2,2-tris(phenylselanyl)ethanol.

Molecular Properties

Compound Name1-phenyl-2,2,2-tris(phenylselanyl)ethanol
PubChem CID12736557
Molecular FormulaC26H22OSe3
Molecular Weight587.34 g/mol
Exact Mass589.92
IUPAC Name1-phenyl-2,2,2-tris(phenylselanyl)ethanol
SMILESOC(c1ccccc1)C([Se]c1ccccc1)([Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C26H22OSe3/c27-25(21-13-5-1-6-14-21)26(28-22-15-7-2-8-16-22,29-23-17-9-3-10-18-23)30-24-19-11-4-12-20-24/h1-20,25,27H
InChIKeyUTZPOUFUIXCBMT-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(1R,2S)-2,3,3-trimethyl-1-phenylbutane-1,2-diol
CID 10774737
4-(2,2-difluoro-1-hydroxy-2-phenylselanylethyl)benzonitrile
CID 11667228
1-amino-2-phenylethane-1,1,2-triol
CID 69451369
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
(1S,2R)-2,3-dimethyl-1-phenylbut-3-ene-1,2-diol
CID 101475003
3,3-dimethoxy-2-methyl-1-phenylpropane-1,2-diol
CID 85272252
1,2-diphenylethane-1,2-diol
CID 159073808
2,2-difluoro-1-phenylbutan-1-ol
CID 15783630
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,2,2-tris(phenylselanyl)ethanol?
The IUPAC name of 1-phenyl-2,2,2-tris(phenylselanyl)ethanol (CID 12736557) is 1-phenyl-2,2,2-tris(phenylselanyl)ethanol.
What is the SMILES notation for 1-phenyl-2,2,2-tris(phenylselanyl)ethanol?
The canonical SMILES for 1-phenyl-2,2,2-tris(phenylselanyl)ethanol is OC(c1ccccc1)C([Se]c1ccccc1)([Se]c1ccccc1)[Se]c1ccccc1.
What is the InChIKey of 1-phenyl-2,2,2-tris(phenylselanyl)ethanol?
The InChIKey is UTZPOUFUIXCBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22OSe3/c27-25(21-13-5-1-6-14-21)26(28-22-15-7-2-8-16-22,29-23-17-9-3-10-18-23)30-24-19-11-4-12-20-24/h1-20,25,27H.
What are the key properties of 1-phenyl-2,2,2-tris(phenylselanyl)ethanol?
1-phenyl-2,2,2-tris(phenylselanyl)ethanol has a molecular weight of 587.34 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,2,2-tris(phenylselanyl)ethanol is sourced from PubChem (CID 12736557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).