(2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane

C16H18OS — CID 102135822

IUPAC(2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane
SMILESC[C@H]1C[C@@H](c2ccccc2)C[C@H](c2cccs2)O1
InChIInChI=1S/C16H18OS/c1-12-10-14(13-6-3-2-4-7-13)11-15(17-12)16-8-5-9-18-16/h2-9,12,14-15H,10-11H2,1H3/t12-,14+,15+/m0/s1
InChIKeyXEXLETAAXLFFIR-NWANDNLSSA-N
MW258.39 g/mol
LogP4.77
Rot. Bonds2

About (2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane

(2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane (PubChem CID 102135822) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is (2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane.

Molecular Properties

Compound Name(2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane
PubChem CID102135822
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name(2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane
SMILESC[C@H]1C[C@@H](c2ccccc2)C[C@H](c2cccs2)O1
InChIInChI=1S/C16H18OS/c1-12-10-14(13-6-3-2-4-7-13)11-15(17-12)16-8-5-9-18-16/h2-9,12,14-15H,10-11H2,1H3/t12-,14+,15+/m0/s1
InChIKeyXEXLETAAXLFFIR-NWANDNLSSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane?
The IUPAC name of (2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane (CID 102135822) is (2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane.
What is the SMILES notation for (2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane?
The canonical SMILES for (2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane is C[C@H]1C[C@@H](c2ccccc2)C[C@H](c2cccs2)O1.
What is the InChIKey of (2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane?
The InChIKey is XEXLETAAXLFFIR-NWANDNLSSA-N. The full InChI is InChI=1S/C16H18OS/c1-12-10-14(13-6-3-2-4-7-13)11-15(17-12)16-8-5-9-18-16/h2-9,12,14-15H,10-11H2,1H3/t12-,14+,15+/m0/s1.
What are the key properties of (2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane?
(2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane has a molecular weight of 258.39 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-2-methyl-4-phenyl-6-thiophen-2-yloxane is sourced from PubChem (CID 102135822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).