(1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol

C15H16O2S — CID 63647665

IUPAC(1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol
SMILESCSc1ccccc1Oc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C15H16O2S/c1-11(16)12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)18-2/h3-11,16H,1-2H3/t11-/m1/s1
InChIKeyNHZRGTIFABEBDG-LLVKDONJSA-N
MW260.36 g/mol
LogP4.25
Rot. Bonds4

About (1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol

(1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol (PubChem CID 63647665) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is (1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol
PubChem CID63647665
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name(1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol
SMILESCSc1ccccc1Oc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C15H16O2S/c1-11(16)12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)18-2/h3-11,16H,1-2H3/t11-/m1/s1
InChIKeyNHZRGTIFABEBDG-LLVKDONJSA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol (CID 63647665) is (1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol is CSc1ccccc1Oc1ccc([C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol?
The InChIKey is NHZRGTIFABEBDG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16O2S/c1-11(16)12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)18-2/h3-11,16H,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol?
(1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol has a molecular weight of 260.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-methylsulfanylphenoxy)phenyl]ethanol is sourced from PubChem (CID 63647665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).