(4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one

C15H14O2S — CID 118886955

IUPAC(4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one
SMILESC[C@@]1(c2cccs2)OC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C15H14O2S/c1-15(13-8-5-9-18-13)12(10-14(16)17-15)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3/t12-,15+/m0/s1
InChIKeySQNNJSBLDDNRQS-SWLSCSKDSA-N
MW258.34 g/mol
LogP3.69
Rot. Bonds2

About (4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one

(4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one (PubChem CID 118886955) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is (4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one
PubChem CID118886955
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name(4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one
SMILESC[C@@]1(c2cccs2)OC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C15H14O2S/c1-15(13-8-5-9-18-13)12(10-14(16)17-15)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3/t12-,15+/m0/s1
InChIKeySQNNJSBLDDNRQS-SWLSCSKDSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one?
The IUPAC name of (4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one (CID 118886955) is (4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one.
What is the SMILES notation for (4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one?
The canonical SMILES for (4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one is C[C@@]1(c2cccs2)OC(=O)C[C@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one?
The InChIKey is SQNNJSBLDDNRQS-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H14O2S/c1-15(13-8-5-9-18-13)12(10-14(16)17-15)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3/t12-,15+/m0/s1.
What are the key properties of (4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one?
(4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one has a molecular weight of 258.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-methyl-4-phenyl-5-thiophen-2-yloxolan-2-one is sourced from PubChem (CID 118886955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).