4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol

C21H24O8S2 — CID 173037269

IUPAC4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)cc(OC)c1C=CS(=O)CS(=O)/C=C/c1c(OC)cc(O)cc1OC
InChIInChI=1S/C21H24O8S2/c1-26-18-9-14(22)10-19(27-2)16(18)5-7-30(24)13-31(25)8-6-17-20(28-3)11-15(23)12-21(17)29-4/h5-12,22-23H,13H2,1-4H3/b7-5+,8-6?
InChIKeyPJZSAHWQBHIKLQ-UOBFQKKOSA-N
MW468.55 g/mol
LogP3.23
Rot. Bonds10

About 4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol

4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol (PubChem CID 173037269) has the molecular formula C21H24O8S2 and a molecular weight of 468.55 g/mol. Its IUPAC name is 4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol.

Molecular Properties

Compound Name4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol
PubChem CID173037269
Molecular FormulaC21H24O8S2
Molecular Weight468.55 g/mol
Exact Mass468.09
IUPAC Name4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)cc(OC)c1C=CS(=O)CS(=O)/C=C/c1c(OC)cc(O)cc1OC
InChIInChI=1S/C21H24O8S2/c1-26-18-9-14(22)10-19(27-2)16(18)5-7-30(24)13-31(25)8-6-17-20(28-3)11-15(23)12-21(17)29-4/h5-12,22-23H,13H2,1-4H3/b7-5+,8-6?
InChIKeyPJZSAHWQBHIKLQ-UOBFQKKOSA-N
XLogP3.23
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol with MolForge

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Related Compounds

(E)-4-(4-hydroxy-2,6-dimethoxyphenyl)-1-[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylbut-3-en-2-one
CID 57480461
2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide
CID 66992457
2-[(Z)-2-[[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-1,3-dimethoxybenzene
CID 87228066
4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol
CID 57480449
1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene
CID 173037244
4-(2,4,6-trimethoxyphenyl)-1-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylbut-3-en-2-one
CID 69485084
2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenol
CID 11474409
(E)-4-(4-hydroxy-2,6-dimethoxyphenyl)-1-[(Z)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfonylbut-3-en-2-one
CID 87227974
(Z)-4-(4-hydroxy-2,6-dimethoxyphenyl)-1-[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfonylbut-3-en-2-one
CID 57480442
2-methoxy-5-[2-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinyl]butan-2-yl]phenol
CID 69331113
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]phenyl] trifluoromethanesulfonate
CID 87269860
(E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide
CID 11554730

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol?
The IUPAC name of 4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol (CID 173037269) is 4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol.
What is the SMILES notation for 4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol?
The canonical SMILES for 4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol is COc1cc(O)cc(OC)c1C=CS(=O)CS(=O)/C=C/c1c(OC)cc(O)cc1OC.
What is the InChIKey of 4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol?
The InChIKey is PJZSAHWQBHIKLQ-UOBFQKKOSA-N. The full InChI is InChI=1S/C21H24O8S2/c1-26-18-9-14(22)10-19(27-2)16(18)5-7-30(24)13-31(25)8-6-17-20(28-3)11-15(23)12-21(17)29-4/h5-12,22-23H,13H2,1-4H3/b7-5+,8-6?.
What are the key properties of 4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol?
4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol has a molecular weight of 468.55 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-3,5-dimethoxyphenol is sourced from PubChem (CID 173037269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).