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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Related Compounds

4-bromo-3,5-dimethoxyphenol
CID 14339099
4-chloro-5-methoxybenzene-1,3-diol
CID 130033872
3-fluoro-5-methoxy-4-methylphenol
CID 84650327
4,9-dimethoxyphenazine-2,7-diol
CID 146380846
4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol
CID 14993625
3,5-dimethoxy-2-phenylsulfanylphenol
CID 11471007
ethane;4-ethyl-5-methoxybenzene-1,3-diol
CID 153353458
4-[(1S)-1-aminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221934
3-amino-4-chloro-5-methoxyphenol
CID 118029335
2-tert-butyl-6-methoxybenzene-1,4-diol
CID 121217885
4-methoxy-3,5-bis(methylperoxy)phenol
CID 174710880
3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol
CID 170909713

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).