3,5-diphenylthiolan-2-ol

C16H16OS — CID 144931057

IUPAC3,5-diphenylthiolan-2-ol
SMILESOC1SC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C16H16OS/c17-16-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-10,14-17H,11H2
InChIKeyFLMKIHOYUVSEPW-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.97
Rot. Bonds2

About 3,5-diphenylthiolan-2-ol

3,5-diphenylthiolan-2-ol (PubChem CID 144931057) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 3,5-diphenylthiolan-2-ol.

Molecular Properties

Compound Name3,5-diphenylthiolan-2-ol
PubChem CID144931057
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name3,5-diphenylthiolan-2-ol
SMILESOC1SC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C16H16OS/c17-16-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-10,14-17H,11H2
InChIKeyFLMKIHOYUVSEPW-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
1,3-diphenyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]thiochromene
CID 12785399
2,6-diphenyl-1,4-dithiane
CID 15501260
(2S,6S)-2,6-diphenylthiane
CID 7065629
(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol
CID 102585788
5-phenylthiolane-2-carboxylic acid
CID 146504602
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
6-phenyl-3-oxabicyclo[3.2.0]heptane
CID 73299099
5-phenylthiolane-2-thione
CID 11095521
cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol
CID 10942959
2-(4-methylphenyl)-5-phenylthiolane
CID 58161404

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenylthiolan-2-ol?
The IUPAC name of 3,5-diphenylthiolan-2-ol (CID 144931057) is 3,5-diphenylthiolan-2-ol.
What is the SMILES notation for 3,5-diphenylthiolan-2-ol?
The canonical SMILES for 3,5-diphenylthiolan-2-ol is OC1SC(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 3,5-diphenylthiolan-2-ol?
The InChIKey is FLMKIHOYUVSEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c17-16-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-10,14-17H,11H2.
What are the key properties of 3,5-diphenylthiolan-2-ol?
3,5-diphenylthiolan-2-ol has a molecular weight of 256.37 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenylthiolan-2-ol is sourced from PubChem (CID 144931057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).