2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol

C14H20O2S — CID 58708353

IUPAC2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol
SMILESCC1OC(Sc2ccccc2)C(C)C(C)C1O
InChIInChI=1S/C14H20O2S/c1-9-10(2)14(16-11(3)13(9)15)17-12-7-5-4-6-8-12/h4-11,13-15H,1-3H3
InChIKeyIXEIZTQYKFTXPQ-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.16
Rot. Bonds2

About 2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol

2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol (PubChem CID 58708353) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol.

Molecular Properties

Compound Name2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol
PubChem CID58708353
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol
SMILESCC1OC(Sc2ccccc2)C(C)C(C)C1O
InChIInChI=1S/C14H20O2S/c1-9-10(2)14(16-11(3)13(9)15)17-12-7-5-4-6-8-12/h4-11,13-15H,1-3H3
InChIKeyIXEIZTQYKFTXPQ-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,4R,5S,6S)-2-methyl-4-phenylsulfanyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 132513322
(2S,3R,4S,5R,6S)-5-methoxy-6-methyl-2-phenylsulfanyloxane-3,4-diol
CID 101130775
(2S,3R,4R,5R,6S)-5-butoxy-2-methyl-6-phenylsulfanyloxane-3,4-diol
CID 70962762
(2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol
CID 97302359
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 22879779
(2S,3R,4R,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 11140243
(3S,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 70671710
(2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol
CID 54042822
(2R,3R,4S,5S,6R)-2-benzylsulfanyl-6-methyloxane-3,4,5-triol
CID 21310490
(4-methoxy-2,5-dimethyl-6-phenylsulfanyloxan-3-yl) benzoate
CID 58784418
(2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol
CID 88976580
(2S,3R,6S)-2-methyl-6-phenylsulfanyloxan-3-ol
CID 143275725

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol?
The IUPAC name of 2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol (CID 58708353) is 2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol.
What is the SMILES notation for 2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol?
The canonical SMILES for 2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol is CC1OC(Sc2ccccc2)C(C)C(C)C1O.
What is the InChIKey of 2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol?
The InChIKey is IXEIZTQYKFTXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-9-10(2)14(16-11(3)13(9)15)17-12-7-5-4-6-8-12/h4-11,13-15H,1-3H3.
What are the key properties of 2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol?
2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol has a molecular weight of 252.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol is sourced from PubChem (CID 58708353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).