4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol

C16H18O6S — CID 14993625

IUPAC4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol
SMILESCOc1cc(Sc2cc(OC)c(O)c(OC)c2)cc(OC)c1O
InChIInChI=1S/C16H18O6S/c1-19-11-5-9(6-12(20-2)15(11)17)23-10-7-13(21-3)16(18)14(8-10)22-4/h5-8,17-18H,1-4H3
InChIKeyXWTJVKTYTZZYOZ-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.28
Rot. Bonds6

About 4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol

4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol (PubChem CID 14993625) has the molecular formula C16H18O6S and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol
PubChem CID14993625
Molecular FormulaC16H18O6S
Molecular Weight338.38 g/mol
Exact Mass338.08
IUPAC Name4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol
SMILESCOc1cc(Sc2cc(OC)c(O)c(OC)c2)cc(OC)c1O
InChIInChI=1S/C16H18O6S/c1-19-11-5-9(6-12(20-2)15(11)17)23-10-7-13(21-3)16(18)14(8-10)22-4/h5-8,17-18H,1-4H3
InChIKeyXWTJVKTYTZZYOZ-UHFFFAOYSA-N
XLogP3.28
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol?
The IUPAC name of 4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol (CID 14993625) is 4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol?
The canonical SMILES for 4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol is COc1cc(Sc2cc(OC)c(O)c(OC)c2)cc(OC)c1O.
What is the InChIKey of 4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol?
The InChIKey is XWTJVKTYTZZYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6S/c1-19-11-5-9(6-12(20-2)15(11)17)23-10-7-13(21-3)16(18)14(8-10)22-4/h5-8,17-18H,1-4H3.
What are the key properties of 4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol?
4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol has a molecular weight of 338.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol is sourced from PubChem (CID 14993625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).