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

C16H18O6S — CID 14993626

IUPAC4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol
SMILESCOc1cc(O)cc(OC)c1Sc1c(OC)cc(O)cc1OC
InChIInChI=1S/C16H18O6S/c1-19-11-5-9(17)6-12(20-2)15(11)23-16-13(21-3)7-10(18)8-14(16)22-4/h5-8,17-18H,1-4H3
InChIKeyCAOQKHXQBPXWHF-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.28
Rot. Bonds6

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

4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol (PubChem CID 14993626) has the molecular formula C16H18O6S and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol.

Molecular Properties

Compound Name4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol
PubChem CID14993626
Molecular FormulaC16H18O6S
Molecular Weight338.38 g/mol
Exact Mass338.08
IUPAC Name4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol
SMILESCOc1cc(O)cc(OC)c1Sc1c(OC)cc(O)cc1OC
InChIInChI=1S/C16H18O6S/c1-19-11-5-9(17)6-12(20-2)15(11)23-16-13(21-3)7-10(18)8-14(16)22-4/h5-8,17-18H,1-4H3
InChIKeyCAOQKHXQBPXWHF-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-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol?
The IUPAC name of 4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol (CID 14993626) is 4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol.
What is the SMILES notation for 4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol?
The canonical SMILES for 4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol is COc1cc(O)cc(OC)c1Sc1c(OC)cc(O)cc1OC.
What is the InChIKey of 4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol?
The InChIKey is CAOQKHXQBPXWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6S/c1-19-11-5-9(17)6-12(20-2)15(11)23-16-13(21-3)7-10(18)8-14(16)22-4/h5-8,17-18H,1-4H3.
What are the key properties of 4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol?
4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-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-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol is sourced from PubChem (CID 14993626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).