5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol

C13H20O3S — CID 170190980

IUPAC5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol
SMILESCCCC[C@@H](O)CSc1ccc(OC)c(O)c1
InChIInChI=1S/C13H20O3S/c1-3-4-5-10(14)9-17-11-6-7-13(16-2)12(15)8-11/h6-8,10,14-15H,3-5,9H2,1-2H3/t10-/m1/s1
InChIKeyMNBPVGOAZZWVHO-SNVBAGLBSA-N
MW256.37 g/mol
LogP3.04
Rot. Bonds7

About 5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol

5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol (PubChem CID 170190980) has the molecular formula C13H20O3S and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol.

Molecular Properties

Compound Name5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol
PubChem CID170190980
Molecular FormulaC13H20O3S
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol
SMILESCCCC[C@@H](O)CSc1ccc(OC)c(O)c1
InChIInChI=1S/C13H20O3S/c1-3-4-5-10(14)9-17-11-6-7-13(16-2)12(15)8-11/h6-8,10,14-15H,3-5,9H2,1-2H3/t10-/m1/s1
InChIKeyMNBPVGOAZZWVHO-SNVBAGLBSA-N
XLogP3.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol?
The IUPAC name of 5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol (CID 170190980) is 5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol.
What is the SMILES notation for 5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol?
The canonical SMILES for 5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol is CCCC[C@@H](O)CSc1ccc(OC)c(O)c1.
What is the InChIKey of 5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol?
The InChIKey is MNBPVGOAZZWVHO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20O3S/c1-3-4-5-10(14)9-17-11-6-7-13(16-2)12(15)8-11/h6-8,10,14-15H,3-5,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol?
5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol has a molecular weight of 256.37 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-hydroxyhexyl]sulfanyl-2-methoxyphenol is sourced from PubChem (CID 170190980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).