8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol

C19H20O2S — CID 171957455

IUPAC8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
SMILESO=S1C2CCC1CC(O)(c1ccccc1-c1ccccc1)C2
InChIInChI=1S/C19H20O2S/c20-19(12-15-10-11-16(13-19)22(15)21)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-9,15-16,20H,10-13H2
InChIKeyHQOMPPOZHZKDCE-UHFFFAOYSA-N
MW312.43 g/mol
LogP3.61
Rot. Bonds2

About 8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol

8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol (PubChem CID 171957455) has the molecular formula C19H20O2S and a molecular weight of 312.43 g/mol. Its IUPAC name is 8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
PubChem CID171957455
Molecular FormulaC19H20O2S
Molecular Weight312.43 g/mol
Exact Mass312.12
IUPAC Name8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
SMILESO=S1C2CCC1CC(O)(c1ccccc1-c1ccccc1)C2
InChIInChI=1S/C19H20O2S/c20-19(12-15-10-11-16(13-19)22(15)21)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-9,15-16,20H,10-13H2
InChIKeyHQOMPPOZHZKDCE-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol (CID 171957455) is 8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol is O=S1C2CCC1CC(O)(c1ccccc1-c1ccccc1)C2.
What is the InChIKey of 8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol?
The InChIKey is HQOMPPOZHZKDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2S/c20-19(12-15-10-11-16(13-19)22(15)21)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-9,15-16,20H,10-13H2.
What are the key properties of 8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol?
8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol has a molecular weight of 312.43 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-3-(2-phenylphenyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171957455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).