6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol

C13H17FO3S — CID 18729300

IUPAC6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol
SMILESCOC1C(O)C(C)OC(F)C1Sc1ccccc1
InChIInChI=1S/C13H17FO3S/c1-8-10(15)11(16-2)12(13(14)17-8)18-9-6-4-3-5-7-9/h3-8,10-13,15H,1-2H3
InChIKeyFBINZROYNXANLF-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.24
Rot. Bonds3

About 6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol

6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol (PubChem CID 18729300) has the molecular formula C13H17FO3S and a molecular weight of 272.34 g/mol. Its IUPAC name is 6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol.

Molecular Properties

Compound Name6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol
PubChem CID18729300
Molecular FormulaC13H17FO3S
Molecular Weight272.34 g/mol
Exact Mass272.09
IUPAC Name6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol
SMILESCOC1C(O)C(C)OC(F)C1Sc1ccccc1
InChIInChI=1S/C13H17FO3S/c1-8-10(15)11(16-2)12(13(14)17-8)18-9-6-4-3-5-7-9/h3-8,10-13,15H,1-2H3
InChIKeyFBINZROYNXANLF-UHFFFAOYSA-N
XLogP2.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol?
The IUPAC name of 6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol (CID 18729300) is 6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol.
What is the SMILES notation for 6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol?
The canonical SMILES for 6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol is COC1C(O)C(C)OC(F)C1Sc1ccccc1.
What is the InChIKey of 6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol?
The InChIKey is FBINZROYNXANLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3S/c1-8-10(15)11(16-2)12(13(14)17-8)18-9-6-4-3-5-7-9/h3-8,10-13,15H,1-2H3.
What are the key properties of 6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol?
6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol has a molecular weight of 272.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol is sourced from PubChem (CID 18729300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).