(4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol

C13H18O2S — CID 11031948

IUPAC(4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol
SMILESC[C@H]1CC(O)O[C@@H](CSc2ccccc2)C1
InChIInChI=1S/C13H18O2S/c1-10-7-11(15-13(14)8-10)9-16-12-5-3-2-4-6-12/h2-6,10-11,13-14H,7-9H2,1H3/t10-,11-,13?/m1/s1
InChIKeyYCMAQUNTEUYZEV-KKPNGEORSA-N
MW238.35 g/mol
LogP2.91
Rot. Bonds3

About (4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol

(4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol (PubChem CID 11031948) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is (4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol.

Molecular Properties

Compound Name(4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol
PubChem CID11031948
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name(4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol
SMILESC[C@H]1CC(O)O[C@@H](CSc2ccccc2)C1
InChIInChI=1S/C13H18O2S/c1-10-7-11(15-13(14)8-10)9-16-12-5-3-2-4-6-12/h2-6,10-11,13-14H,7-9H2,1H3/t10-,11-,13?/m1/s1
InChIKeyYCMAQUNTEUYZEV-KKPNGEORSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol?
The IUPAC name of (4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol (CID 11031948) is (4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol.
What is the SMILES notation for (4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol?
The canonical SMILES for (4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol is C[C@H]1CC(O)O[C@@H](CSc2ccccc2)C1.
What is the InChIKey of (4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol?
The InChIKey is YCMAQUNTEUYZEV-KKPNGEORSA-N. The full InChI is InChI=1S/C13H18O2S/c1-10-7-11(15-13(14)8-10)9-16-12-5-3-2-4-6-12/h2-6,10-11,13-14H,7-9H2,1H3/t10-,11-,13?/m1/s1.
What are the key properties of (4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol?
(4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-methyl-6-(phenylsulfanylmethyl)oxan-2-ol is sourced from PubChem (CID 11031948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).