1,3-oxathian-2-yl(diphenyl)methanol

C17H18O2S — CID 13409795

IUPAC1,3-oxathian-2-yl(diphenyl)methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1OCCCS1
InChIInChI=1S/C17H18O2S/c18-17(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-19-12-7-13-20-16/h1-6,8-11,16,18H,7,12-13H2
InChIKeyBCXXTXVFGWZJTJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.40
Rot. Bonds3

About 1,3-oxathian-2-yl(diphenyl)methanol

1,3-oxathian-2-yl(diphenyl)methanol (PubChem CID 13409795) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1,3-oxathian-2-yl(diphenyl)methanol.

Molecular Properties

Compound Name1,3-oxathian-2-yl(diphenyl)methanol
PubChem CID13409795
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1,3-oxathian-2-yl(diphenyl)methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1OCCCS1
InChIInChI=1S/C17H18O2S/c18-17(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-19-12-7-13-20-16/h1-6,8-11,16,18H,7,12-13H2
InChIKeyBCXXTXVFGWZJTJ-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxathian-2-yl(diphenyl)methanol?
The IUPAC name of 1,3-oxathian-2-yl(diphenyl)methanol (CID 13409795) is 1,3-oxathian-2-yl(diphenyl)methanol.
What is the SMILES notation for 1,3-oxathian-2-yl(diphenyl)methanol?
The canonical SMILES for 1,3-oxathian-2-yl(diphenyl)methanol is OC(c1ccccc1)(c1ccccc1)C1OCCCS1.
What is the InChIKey of 1,3-oxathian-2-yl(diphenyl)methanol?
The InChIKey is BCXXTXVFGWZJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c18-17(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-19-12-7-13-20-16/h1-6,8-11,16,18H,7,12-13H2.
What are the key properties of 1,3-oxathian-2-yl(diphenyl)methanol?
1,3-oxathian-2-yl(diphenyl)methanol has a molecular weight of 286.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxathian-2-yl(diphenyl)methanol is sourced from PubChem (CID 13409795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).