diphenyl-[(2S)-thiolan-2-yl]methanol

C17H18OS — CID 71723191

IUPACdiphenyl-[(2S)-thiolan-2-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCS1
InChIInChI=1S/C17H18OS/c18-17(16-12-7-13-19-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18H,7,12-13H2/t16-/m0/s1
InChIKeyQLYGFHRLLZYYOR-INIZCTEOSA-N
MW270.40 g/mol
LogP3.82
Rot. Bonds3

About diphenyl-[(2S)-thiolan-2-yl]methanol

diphenyl-[(2S)-thiolan-2-yl]methanol (PubChem CID 71723191) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is diphenyl-[(2S)-thiolan-2-yl]methanol.

Molecular Properties

Compound Namediphenyl-[(2S)-thiolan-2-yl]methanol
PubChem CID71723191
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Namediphenyl-[(2S)-thiolan-2-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCS1
InChIInChI=1S/C17H18OS/c18-17(16-12-7-13-19-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18H,7,12-13H2/t16-/m0/s1
InChIKeyQLYGFHRLLZYYOR-INIZCTEOSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[(2S)-thiolan-2-yl]methanol?
The IUPAC name of diphenyl-[(2S)-thiolan-2-yl]methanol (CID 71723191) is diphenyl-[(2S)-thiolan-2-yl]methanol.
What is the SMILES notation for diphenyl-[(2S)-thiolan-2-yl]methanol?
The canonical SMILES for diphenyl-[(2S)-thiolan-2-yl]methanol is OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCS1.
What is the InChIKey of diphenyl-[(2S)-thiolan-2-yl]methanol?
The InChIKey is QLYGFHRLLZYYOR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18OS/c18-17(16-12-7-13-19-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18H,7,12-13H2/t16-/m0/s1.
What are the key properties of diphenyl-[(2S)-thiolan-2-yl]methanol?
diphenyl-[(2S)-thiolan-2-yl]methanol has a molecular weight of 270.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(2S)-thiolan-2-yl]methanol is sourced from PubChem (CID 71723191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).