3-benzyl-5-phenylsulfanyloxolan-2-one

C17H16O2S — CID 12727641

IUPAC3-benzyl-5-phenylsulfanyloxolan-2-one
SMILESO=C1OC(Sc2ccccc2)CC1Cc1ccccc1
InChIInChI=1S/C17H16O2S/c18-17-14(11-13-7-3-1-4-8-13)12-16(19-17)20-15-9-5-2-6-10-15/h1-10,14,16H,11-12H2
InChIKeyDOCFBUIFWLTSPM-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.91
Rot. Bonds4

About 3-benzyl-5-phenylsulfanyloxolan-2-one

3-benzyl-5-phenylsulfanyloxolan-2-one (PubChem CID 12727641) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-benzyl-5-phenylsulfanyloxolan-2-one.

Molecular Properties

Compound Name3-benzyl-5-phenylsulfanyloxolan-2-one
PubChem CID12727641
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name3-benzyl-5-phenylsulfanyloxolan-2-one
SMILESO=C1OC(Sc2ccccc2)CC1Cc1ccccc1
InChIInChI=1S/C17H16O2S/c18-17-14(11-13-7-3-1-4-8-13)12-16(19-17)20-15-9-5-2-6-10-15/h1-10,14,16H,11-12H2
InChIKeyDOCFBUIFWLTSPM-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenylsulfanyloxolan-2-one?
The IUPAC name of 3-benzyl-5-phenylsulfanyloxolan-2-one (CID 12727641) is 3-benzyl-5-phenylsulfanyloxolan-2-one.
What is the SMILES notation for 3-benzyl-5-phenylsulfanyloxolan-2-one?
The canonical SMILES for 3-benzyl-5-phenylsulfanyloxolan-2-one is O=C1OC(Sc2ccccc2)CC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-phenylsulfanyloxolan-2-one?
The InChIKey is DOCFBUIFWLTSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2S/c18-17-14(11-13-7-3-1-4-8-13)12-16(19-17)20-15-9-5-2-6-10-15/h1-10,14,16H,11-12H2.
What are the key properties of 3-benzyl-5-phenylsulfanyloxolan-2-one?
3-benzyl-5-phenylsulfanyloxolan-2-one has a molecular weight of 284.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenylsulfanyloxolan-2-one is sourced from PubChem (CID 12727641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).