(3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one

C11H12O2S — CID 642777

IUPAC(3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one
SMILESC[C@H]1SC[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C11H12O2S/c1-8-11(12)13-10(7-14-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10+/m1/s1
InChIKeyBNBLVOYPHKPBTG-SCZZXKLOSA-N
MW208.28 g/mol
LogP2.41
Rot. Bonds1

About (3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one

(3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one (PubChem CID 642777) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is (3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one.

Molecular Properties

Compound Name(3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one
PubChem CID642777
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name(3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one
SMILESC[C@H]1SC[C@@H](c2ccccc2)OC1=O
InChIInChI=1S/C11H12O2S/c1-8-11(12)13-10(7-14-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10+/m1/s1
InChIKeyBNBLVOYPHKPBTG-SCZZXKLOSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one?
The IUPAC name of (3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one (CID 642777) is (3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one.
What is the SMILES notation for (3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one?
The canonical SMILES for (3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one is C[C@H]1SC[C@@H](c2ccccc2)OC1=O.
What is the InChIKey of (3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one?
The InChIKey is BNBLVOYPHKPBTG-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H12O2S/c1-8-11(12)13-10(7-14-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10+/m1/s1.
What are the key properties of (3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one?
(3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one has a molecular weight of 208.28 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-methyl-6-phenyl-1,4-oxathian-2-one is sourced from PubChem (CID 642777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).