2,2-diphenyl-1,3-oxathiolane

C15H14OS — CID 11096799

IUPAC2,2-diphenyl-1,3-oxathiolane
SMILESc1ccc(C2(c3ccccc3)OCCS2)cc1
InChIInChI=1S/C15H14OS/c1-3-7-13(8-4-1)15(16-11-12-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyYYVQRWLZGPYQEK-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.65
Rot. Bonds2

About 2,2-diphenyl-1,3-oxathiolane

2,2-diphenyl-1,3-oxathiolane (PubChem CID 11096799) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 2,2-diphenyl-1,3-oxathiolane.

Molecular Properties

Compound Name2,2-diphenyl-1,3-oxathiolane
PubChem CID11096799
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name2,2-diphenyl-1,3-oxathiolane
SMILESc1ccc(C2(c3ccccc3)OCCS2)cc1
InChIInChI=1S/C15H14OS/c1-3-7-13(8-4-1)15(16-11-12-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyYYVQRWLZGPYQEK-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Diphenyltetrahydrofuran
CID 70175
2-Phenyl-1,3-oxathiolane
CID 97797
2-Methyl-2-phenyl-1,3-oxathiolane
CID 101132
2-(4-Methylphenyl)-1,3-oxathiolane
CID 211138
P 293
CID 42621
Furan, 2,5-diphenyl-tetrahydro-
CID 576417
US8815951, Epoxide Hydrolase Inhibitor 4
CID 86766822
Pentafluoro-[(2-phenyloxolan-2-yl)methyl]-lambda6-sulfane
CID 155192419
[(Z)-(5,5-diphenyloxolan-3-ylidene)methyl]-pentafluoro-lambda6-sulfane
CID 155192454
3-phenyl-3H-2-benzofuran-1-thione
CID 3321861
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (Z)-
CID 3053243
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (E)-
CID 3053244

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1,3-oxathiolane?
The IUPAC name of 2,2-diphenyl-1,3-oxathiolane (CID 11096799) is 2,2-diphenyl-1,3-oxathiolane.
What is the SMILES notation for 2,2-diphenyl-1,3-oxathiolane?
The canonical SMILES for 2,2-diphenyl-1,3-oxathiolane is c1ccc(C2(c3ccccc3)OCCS2)cc1.
What is the InChIKey of 2,2-diphenyl-1,3-oxathiolane?
The InChIKey is YYVQRWLZGPYQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-3-7-13(8-4-1)15(16-11-12-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 2,2-diphenyl-1,3-oxathiolane?
2,2-diphenyl-1,3-oxathiolane has a molecular weight of 242.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1,3-oxathiolane is sourced from PubChem (CID 11096799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).