4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol

C15H16O5S — CID 139784485

IUPAC4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol
SMILESCOc1cc(COSc2ccc(O)cc2)cc(OC)c1O
InChIInChI=1S/C15H16O5S/c1-18-13-7-10(8-14(19-2)15(13)17)9-20-21-12-5-3-11(16)4-6-12/h3-8,16-17H,9H2,1-2H3
InChIKeyRHQYVWBZJRBDHW-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.34
Rot. Bonds6

About 4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol

4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol (PubChem CID 139784485) has the molecular formula C15H16O5S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol
PubChem CID139784485
Molecular FormulaC15H16O5S
Molecular Weight308.36 g/mol
Exact Mass308.07
IUPAC Name4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol
SMILESCOc1cc(COSc2ccc(O)cc2)cc(OC)c1O
InChIInChI=1S/C15H16O5S/c1-18-13-7-10(8-14(19-2)15(13)17)9-20-21-12-5-3-11(16)4-6-12/h3-8,16-17H,9H2,1-2H3
InChIKeyRHQYVWBZJRBDHW-UHFFFAOYSA-N
XLogP3.34
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(methoxymethoxysulfanyl)phenol
CID 70117921
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
4-[(3-bromo-4-methoxyphenyl)methylsulfanyl]phenol
CID 54970698
4-(4-hydroxy-3,5-dimethoxyphenyl)sulfanyl-2,6-dimethoxyphenol
CID 14993625
4-(4-amino-3-methoxyphenyl)sulfanylphenol
CID 91879711
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
4-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]phenol
CID 22669970
4-(trioxidanylsulfanyl)phenol
CID 20632478
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
2,6-dimethoxy-4-pentylphenol
CID 22625510
4-(3-bromopropyl)-2,6-dimethoxyphenol
CID 53434534
4-[(2,4-dimethoxyphenyl)methyl]-2,6-dimethoxyphenol
CID 91244154

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol (CID 139784485) is 4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol is COc1cc(COSc2ccc(O)cc2)cc(OC)c1O.
What is the InChIKey of 4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol?
The InChIKey is RHQYVWBZJRBDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5S/c1-18-13-7-10(8-14(19-2)15(13)17)9-20-21-12-5-3-11(16)4-6-12/h3-8,16-17H,9H2,1-2H3.
What are the key properties of 4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol?
4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol has a molecular weight of 308.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)sulfanyloxymethyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 139784485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).