1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol

C16H18O2S — CID 163195816

IUPAC1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol
SMILESOC(Cc1ccccc1)SC(O)Cc1ccccc1
InChIInChI=1S/C16H18O2S/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2
InChIKeyWQWYFOYXXCIVNZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.84
Rot. Bonds6

About 1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol

1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol (PubChem CID 163195816) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol.

Molecular Properties

Compound Name1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol
PubChem CID163195816
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol
SMILESOC(Cc1ccccc1)SC(O)Cc1ccccc1
InChIInChI=1S/C16H18O2S/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2
InChIKeyWQWYFOYXXCIVNZ-UHFFFAOYSA-N
XLogP2.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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2-Hydroxy-1-phenylethanesulfonic acid;phenylmethanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol?
The IUPAC name of 1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol (CID 163195816) is 1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol.
What is the SMILES notation for 1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol?
The canonical SMILES for 1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol is OC(Cc1ccccc1)SC(O)Cc1ccccc1.
What is the InChIKey of 1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol?
The InChIKey is WQWYFOYXXCIVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2.
What are the key properties of 1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol?
1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol has a molecular weight of 274.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol is sourced from PubChem (CID 163195816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).