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

C17H20O2S2 — CID 2054797

IUPAC2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]phenyl]sulfanylethanol
SMILESOCCSc1ccc(Cc2ccc(SCCO)cc2)cc1
InChIInChI=1S/C17H20O2S2/c18-9-11-20-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)21-12-10-19/h1-8,18-19H,9-13H2
InChIKeyUNQRRTGEWZEQKO-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.45
Rot. Bonds8

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

2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]phenyl]sulfanylethanol (PubChem CID 2054797) has the molecular formula C17H20O2S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]phenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]phenyl]sulfanylethanol
PubChem CID2054797
Molecular FormulaC17H20O2S2
Molecular Weight320.48 g/mol
Exact Mass320.09
IUPAC Name2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]phenyl]sulfanylethanol
SMILESOCCSc1ccc(Cc2ccc(SCCO)cc2)cc1
InChIInChI=1S/C17H20O2S2/c18-9-11-20-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)21-12-10-19/h1-8,18-19H,9-13H2
InChIKeyUNQRRTGEWZEQKO-UHFFFAOYSA-N
XLogP3.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]phenyl]sulfanylethanol?
The IUPAC name of 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]phenyl]sulfanylethanol (CID 2054797) is 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]phenyl]sulfanylethanol.
What is the SMILES notation for 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]phenyl]sulfanylethanol?
The canonical SMILES for 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]phenyl]sulfanylethanol is OCCSc1ccc(Cc2ccc(SCCO)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]phenyl]sulfanylethanol?
The InChIKey is UNQRRTGEWZEQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S2/c18-9-11-20-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)21-12-10-19/h1-8,18-19H,9-13H2.
What are the key properties of 2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]phenyl]sulfanylethanol?
2-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]phenyl]sulfanylethanol has a molecular weight of 320.48 g/mol, XLogP of 3.45, 8 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]methyl]phenyl]sulfanylethanol is sourced from PubChem (CID 2054797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).