2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol

C28H28O2S2Si — CID 167438184

IUPAC2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol
SMILESOCCSc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(SCCO)cc2)cc1
InChIInChI=1S/C28H28O2S2Si/c29-19-21-31-23-11-15-27(16-12-23)33(25-7-3-1-4-8-25,26-9-5-2-6-10-26)28-17-13-24(14-18-28)32-22-20-30/h1-18,29-30H,19-22H2
InChIKeyFQSQQMMOSSLVOP-UHFFFAOYSA-N
MW488.75 g/mol
LogP3.23
Rot. Bonds10

About 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol

2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol (PubChem CID 167438184) has the molecular formula C28H28O2S2Si and a molecular weight of 488.75 g/mol. Its IUPAC name is 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol
PubChem CID167438184
Molecular FormulaC28H28O2S2Si
Molecular Weight488.75 g/mol
Exact Mass488.13
IUPAC Name2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol
SMILESOCCSc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(SCCO)cc2)cc1
InChIInChI=1S/C28H28O2S2Si/c29-19-21-31-23-11-15-27(16-12-23)33(25-7-3-1-4-8-25,26-9-5-2-6-10-26)28-17-13-24(14-18-28)32-22-20-30/h1-18,29-30H,19-22H2
InChIKeyFQSQQMMOSSLVOP-UHFFFAOYSA-N
XLogP3.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.75
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(2-hydroxyethylsulfanyl)phenyl]phenyl]sulfanylethanol
CID 2192654
benzoic acid;2-phenylsulfanylethanol
CID 71357973
2-phenylsulfanylethanol;prop-2-enoic acid
CID 175060305
bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone
CID 139889222
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenyl]sulfanylethanol
CID 59070243
2-[7-(2-hydroxyethylsulfanyl)phenazin-2-yl]sulfanylethanol
CID 15048490
[4-[(4-cyclopentylphenyl)sulfanylmethyl]phenyl]-triphenylsilane
CID 146922012
4-[4-(2-hydroxyethylsulfanyl)phenyl]-4-oxobutanoic acid
CID 82165387
(2S)-2-amino-4-phenylsulfanylbutan-1-ol
CID 57263408
2-(4-butan-2-ylsulfanylphenyl)sulfanylethanol
CID 15662558
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
2-(3,4-difluorophenyl)sulfanylethanol
CID 43392369

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol?
The IUPAC name of 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol (CID 167438184) is 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol.
What is the SMILES notation for 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol?
The canonical SMILES for 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol is OCCSc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(SCCO)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol?
The InChIKey is FQSQQMMOSSLVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O2S2Si/c29-19-21-31-23-11-15-27(16-12-23)33(25-7-3-1-4-8-25,26-9-5-2-6-10-26)28-17-13-24(14-18-28)32-22-20-30/h1-18,29-30H,19-22H2.
What are the key properties of 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol?
2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol has a molecular weight of 488.75 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]-diphenylsilyl]phenyl]sulfanylethanol is sourced from PubChem (CID 167438184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).