1-phenyl-2-phenylsulfanylethanol

C14H14OS — CID 11117871

IUPAC1-phenyl-2-phenylsulfanylethanol
SMILESOC(CSc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14OS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyXAIBVIWAJLFVEG-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.51
Rot. Bonds4

About 1-phenyl-2-phenylsulfanylethanol

1-phenyl-2-phenylsulfanylethanol (PubChem CID 11117871) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-phenyl-2-phenylsulfanylethanol.

Molecular Properties

Compound Name1-phenyl-2-phenylsulfanylethanol
PubChem CID11117871
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-phenyl-2-phenylsulfanylethanol
SMILESOC(CSc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14OS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyXAIBVIWAJLFVEG-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-phenylsulfanylethanol?
The IUPAC name of 1-phenyl-2-phenylsulfanylethanol (CID 11117871) is 1-phenyl-2-phenylsulfanylethanol.
What is the SMILES notation for 1-phenyl-2-phenylsulfanylethanol?
The canonical SMILES for 1-phenyl-2-phenylsulfanylethanol is OC(CSc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-phenylsulfanylethanol?
The InChIKey is XAIBVIWAJLFVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10,14-15H,11H2.
What are the key properties of 1-phenyl-2-phenylsulfanylethanol?
1-phenyl-2-phenylsulfanylethanol has a molecular weight of 230.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-phenylsulfanylethanol is sourced from PubChem (CID 11117871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).